data_1sr2_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 1sr2 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.951 0.405 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -69.4 -36.9 77.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.032 0.444 . . . . 0.0 110.045 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -60.52 -48.47 81.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.602 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -31.33 72.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.69 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -68.21 -40.13 82.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.741 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.08 70.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.832 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -31.18 70.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.966 0.412 . . . . 0.0 110.389 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 107.74 -0.98 34.1 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.833 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -76.8 -0.62 24.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.195 0.522 . . . . 0.0 110.689 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.06 -29.45 69.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.07 174.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.49 -40.54 91.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.488 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.2 mt -71.93 -36.6 69.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.011 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.563 ' HA ' HG22 ' A' ' 818' ' ' VAL . 0.4 OUTLIER -59.18 -31.88 69.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.535 -178.447 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . 0.413 HG11 HD23 ' A' ' 890' ' ' LEU . 11.9 m -106.39 6.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.691 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -97.43 -81.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.718 0.294 . . . . 0.0 110.714 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.0 -21.93 23.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.77 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 92.9 t -64.5 -57.68 16.28 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -173.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.77 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 39.4 Cg_exo -62.5 -28.68 77.88 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 121.923 1.749 . . . . 0.0 111.786 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 823' ' ' LYS . 15.5 t70 -66.59 -41.9 87.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.462 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.72 -34.04 71.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.165 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . 0.429 ' O ' ' HB2' ' A' ' 825' ' ' LEU . 53.7 t -65.74 -49.34 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -67.26 -29.11 68.64 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.45 178.492 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.714 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 6.5 ttm105 -68.13 -44.29 76.43 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.876 ' HG ' HG23 ' A' ' 840' ' ' THR . 9.8 mt -48.05 -49.87 29.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.979 0.419 . . . . 0.0 110.414 174.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.42 -45.02 92.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.016 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 36.1 m -66.73 -45.47 78.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.387 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.714 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 4.0 mm-40 -71.66 -30.19 65.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.778 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.32 93.47 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.867 0.365 . . . . 0.0 110.174 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.56 85.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.999 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -10.29 59.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.408 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 6.7 m 66.51 33.77 6.5 Favored 'General case' 0 N--CA 1.46 0.057 0 CA-C-O 121.456 0.646 . . . . 0.0 110.47 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -82.78 76.48 9.62 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.469 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.688 ' HA ' HD11 ' A' ' 837' ' ' LEU . 58.1 m-85 -55.15 -27.71 47.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.014 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.97 91.42 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.113 0.482 . . . . 0.0 110.729 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 839' ' ' GLN . . . -82.2 -33.94 29.18 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.365 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 834' ' ' PHE . 44.4 mt -60.16 -43.0 96.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.77 -1.104 . . . . 0.0 109.938 174.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -67.62 -49.29 63.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.969 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 836' ' ' ALA . 0.1 OUTLIER -60.99 -39.59 90.23 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.29 -178.285 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.876 HG23 ' HG ' ' A' ' 825' ' ' LEU . 4.5 m -73.29 -37.26 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.87 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.33 93.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 110.114 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -38.12 77.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.597 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -47.92 82.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.482 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.564 HD13 HD13 ' A' ' 825' ' ' LEU . 11.9 mt -64.96 -41.0 95.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.533 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.687 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 11.1 ttmt -56.28 -44.05 79.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.087 175.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.57 -44.78 70.3 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.762 -0.653 . . . . 0.0 113.083 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 31.4 m -71.91 -32.37 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 117.115 0.458 . . . . 0.0 111.204 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.69 -38.15 73.67 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.6 78.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.081 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 2.6 tpp -66.55 -41.77 88.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.473 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 60.4 mt -74.52 -11.48 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.485 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 74.5 25.05 1.67 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.386 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.96 92.95 8.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.868 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.458 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 2.6 t -61.9 -55.94 36.76 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.965 -175.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 10.0 Cg_endo -54.52 -36.74 89.43 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.412 2.075 . . . . 0.0 112.782 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.41 -47.82 67.83 Favored Glycine 0 C--O 1.239 0.436 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.723 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -35.71 80.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -44.74 90.79 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.9 mt -58.88 -44.08 91.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.978 0.418 . . . . 0.0 110.301 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 12.2 m -66.66 -32.38 73.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.075 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . 0.687 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 1.4 mm-40 -65.04 -47.98 75.46 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -34.6 78.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.409 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 863' ' ' LEU . 0.6 OUTLIER -57.42 -51.08 70.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 177.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . 0.504 ' CD ' ' HZ3' ' A' ' 845' ' ' LYS . 2.5 pt-20 -62.95 -36.37 83.22 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 110.426 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -67.35 -38.78 85.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.591 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . 0.41 HD21 ' HA3' ' A' ' 874' ' ' GLY . 14.6 mt -67.29 -29.79 69.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.788 0.327 . . . . 0.0 110.383 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.513 ' HA ' HD12 ' A' ' 875' ' ' ILE . 23.5 mt -72.37 -38.78 61.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.586 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.38 -35.74 81.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.9 177.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.586 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 20.1 mm-40 -85.4 -7.4 58.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 62.07 36.72 15.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.079 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -89.98 82.0 6.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.48 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.9 t -52.03 -53.24 54.0 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.411 -176.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 13.3 Cg_endo -57.53 -35.03 98.91 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.327 2.018 . . . . 0.0 112.424 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . 0.41 ' HA3' HD21 ' A' ' 866' ' ' LEU . . . -70.36 -42.08 66.1 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.029 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 867' ' ' ILE . 56.2 mt -57.25 -53.39 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.626 0.25 . . . . 0.0 110.46 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 0.2 OUTLIER -65.59 -33.89 76.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.002 -178.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -59.1 -49.52 77.57 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.166 176.745 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.475 ' HA ' ' HB2' ' A' ' 881' ' ' ASP . 4.8 m-85 -72.45 -31.88 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 -177.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.21 -43.12 88.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.3 m -67.43 -37.01 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.468 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 885' ' ' TYR . 0.2 OUTLIER -65.69 -35.09 79.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.185 0.517 . . . . 0.0 110.597 178.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 68.3 mt -73.69 -33.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.155 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -69.29 -46.85 66.2 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.0 p -62.9 -38.49 91.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.067 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . 0.481 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 5.7 t80 -60.5 -57.87 10.88 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.995 0.903 . . . . 0.0 110.312 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.61 -36.56 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 CA-C-N 113.751 -1.568 . . . . 0.0 110.358 -178.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 178.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -27.6 61.7 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.572 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . 0.468 ' HB3' ' CE2' ' A' ' 814' ' ' PHE . 0.2 OUTLIER -88.14 -13.02 42.34 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.094 -0.243 . . . . 0.0 111.459 -178.528 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 890' ' ' LEU . 13.0 mt . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.458 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--O 1.228 -0.053 0 CA-C-O 120.672 0.272 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -71.1 -39.41 72.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.753 0.311 . . . . 0.0 110.416 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -61.63 -47.17 86.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.022 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.529 ' HA ' ' CE1' ' A' ' 810' ' ' TYR . 0.1 OUTLIER -67.93 -32.71 73.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.573 -178.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.528 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 18.8 t-80 -70.72 -51.3 28.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.069 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -68.95 -27.63 65.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.977 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 72.4 m -78.92 -1.14 33.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.24 -31.33 4.47 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.535 -0.84 . . . . 0.0 114.02 172.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . 0.529 ' CE1' ' HA ' ' A' ' 805' ' ' LEU . 1.7 p90 -73.38 8.6 1.67 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.655 0.727 . . . . 0.0 111.932 -176.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.528 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 15.6 t80 -61.74 -32.11 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 170.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -61.22 -42.53 98.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.598 177.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -31.13 63.68 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 109.773 177.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.698 ' HA ' HG22 ' A' ' 818' ' ' VAL . 51.1 t80 -61.03 -40.08 92.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.608 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . 0.672 HG11 HD22 ' A' ' 890' ' ' LEU . 32.1 m -93.42 2.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 0.0 111.212 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 5.4 t0 -92.24 -61.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.775 -178.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 817' ' ' THR . . . . . 0.451 HG21 ' N ' ' A' ' 818' ' ' VAL . 1.9 t -104.79 -34.04 8.22 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.698 HG22 ' HA ' ' A' ' 814' ' ' PHE . 46.2 t -57.36 -55.23 46.55 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -170.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.97 -39.65 59.03 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 121.597 1.531 . . . . 0.0 111.921 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' A' ' 824' ' ' ARG . 16.3 t70 -65.79 -40.12 91.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.216 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . 0.475 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.4 OUTLIER -60.08 -40.28 89.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.299 177.847 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.5 -42.31 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.448 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 826' ' ' TYR . 0.1 OUTLIER -62.27 -39.91 94.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.565 177.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.516 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 60.4 mtm-85 -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.21 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.63 ' HG ' HG23 ' A' ' 840' ' ' THR . 3.0 mt -58.73 -42.0 87.71 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.472 ' HB2' ' O ' ' A' ' 823' ' ' LYS . 10.9 m-85 -57.37 -43.04 83.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.121 173.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.8 m -65.57 -45.54 82.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.631 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.9 mm-40 -70.94 -28.05 64.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.052 0.453 . . . . 0.0 110.675 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . 0.787 ' HA ' HD13 ' A' ' 837' ' ' LEU . . . -70.3 -33.93 72.13 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.685 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.12 -30.81 71.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.147 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -7.8 52.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.77 0.319 . . . . 0.0 111.032 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.69 33.07 22.81 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 110.275 -177.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -84.83 76.68 10.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.942 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.583 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 96.9 m-85 -52.74 -30.51 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.705 -178.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.558 0.695 . . . . 0.0 110.182 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -80.78 -34.01 34.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.498 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.787 HD13 ' HA ' ' A' ' 829' ' ' ALA . 0.4 OUTLIER -58.18 -45.97 86.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.929 174.729 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.51 91.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.259 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -64.68 -39.33 93.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.605 0.241 . . . . 0.0 111.202 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.63 HG23 ' HG ' ' A' ' 825' ' ' LEU . 4.9 m -74.05 -38.03 64.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.67 0.271 . . . . 0.0 110.754 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.56 78.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.016 0.436 . . . . 0.0 109.88 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -44.25 94.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.04 173.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 2.8 mtm-85 -64.26 -44.86 90.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.888 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.49 ' HA ' HG23 ' A' ' 847' ' ' VAL . 0.9 OUTLIER -66.59 -40.2 88.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.171 0.51 . . . . 0.0 110.413 -178.321 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -63.14 -40.01 96.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.786 175.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.13 -45.45 71.51 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.955 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.49 HG23 ' HA ' ' A' ' 844' ' ' LEU . 16.2 m -65.78 -41.69 90.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 117.091 0.446 . . . . 0.0 111.227 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -67.65 -40.38 84.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.42 -34.74 78.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -60.63 -47.13 87.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.776 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.18 -5.67 59.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.854 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.9 34.67 1.88 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.076 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 9.6 mt -85.51 82.71 8.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.158 174.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.488 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 14.3 t -49.31 -54.01 34.01 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.753 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.488 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 49.6 Cg_exo -55.28 -43.71 56.07 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.92 1.747 . . . . 0.0 112.247 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.35 -48.31 70.55 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.375 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -36.13 83.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.569 0.223 . . . . 0.0 110.6 -179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -36.37 83.36 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.116 0.484 . . . . 0.0 110.109 177.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.436 ' HB3' HD13 ' A' ' 882' ' ' ILE . 0.3 OUTLIER -64.05 -44.99 90.77 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.878 176.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 56.5 m -63.8 -42.06 97.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.419 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -58.08 -48.11 81.15 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.094 0.473 . . . . 0.0 110.65 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 7.3 m -66.49 -36.19 82.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.835 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.563 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.6 OUTLIER -63.46 -44.35 94.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.479 176.44 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -36.54 77.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.939 0.399 . . . . 0.0 110.458 177.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -59.99 -47.06 87.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.027 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . 0.584 HD23 ' HA3' ' A' ' 874' ' ' GLY . 7.9 mt -64.12 -33.97 76.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.776 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 56.6 mt -74.41 -37.31 44.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.422 0.63 . . . . 0.0 109.558 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.535 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -63.13 -36.27 83.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.8 179.295 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.535 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 18.6 pt-20 -92.1 -0.63 57.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.867 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 66.0 mttt 60.36 37.63 20.02 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.763 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -87.45 84.27 7.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.951 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.41 ' H ' HG21 ' A' ' 872' ' ' VAL . 0.1 OUTLIER -51.65 -51.58 68.51 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -176.37 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.44 -42.13 71.21 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.243 1.962 . . . . 0.0 112.554 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . 0.584 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -68.09 -38.9 88.76 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.919 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 37.5 mt -61.39 -54.43 35.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.397 0.141 . . . . 0.0 110.737 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -36.11 81.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.613 -178.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -49.42 76.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.946 0.403 . . . . 0.0 110.642 177.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.563 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 1.6 m-85 -72.21 -32.11 66.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.498 -177.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.547 HG13 HD23 ' A' ' 863' ' ' LEU . 20.8 mt -62.76 -44.66 99.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.177 174.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 6.0 m -64.17 -32.92 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.053 0.454 . . . . 0.0 110.204 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.62 -33.95 67.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.078 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . 0.464 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 1.3 tt -70.84 -31.33 45.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.239 0.542 . . . . 0.0 110.057 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . 0.439 ' N ' HG21 ' A' ' 882' ' ' ILE . 7.0 t70 -73.17 -42.44 62.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.329 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 6.2 p -68.15 -32.14 72.2 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.823 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 74.6 t80 -56.2 -57.68 11.18 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.565 1.174 . . . . 0.0 109.89 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -30.56 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 CA-C-N 113.049 -1.887 . . . . 0.0 110.724 -176.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . 0.405 ' HG3' ' HZ1' ' A' ' 887' ' ' LYS . 7.7 mttp -70.67 -35.94 73.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.369 177.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.88 -25.97 61.27 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.245 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 1.7 mp -81.42 -19.07 43.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.612 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.672 HD22 HG11 ' A' ' 815' ' ' VAL . 3.7 mt . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.145 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.37 0 CA-C-O 120.764 0.316 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.27 97.33 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.457 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -56.81 -54.93 40.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.356 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.794 ' HB3' ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -52.86 -48.48 67.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.362 178.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -65.16 -57.71 7.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.543 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -66.01 -33.97 77.02 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -170.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 54.2 p -77.39 -15.61 59.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.061 0.458 . . . . 0.0 111.167 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 81.79 5.3 89.93 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.694 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . 0.664 ' HB3' HD21 ' A' ' 851' ' ' LEU . 1.7 m-85 -80.58 -6.54 58.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.598 -0.301 . . . . 0.0 110.578 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.794 ' HD1' ' HB3' ' A' ' 805' ' ' LEU . 8.6 t80 -56.92 -34.95 68.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.195 176.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.37 -46.03 89.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.625 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -39.24 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.352 0.596 . . . . 0.0 109.823 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.477 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 82.8 t80 -59.31 -41.93 90.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.61 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 29.6 m -96.07 7.3 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.699 -178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.13 -70.48 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.971 0.415 . . . . 0.0 111.044 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 817' ' ' THR . . . . . 0.557 HG21 ' N ' ' A' ' 818' ' ' VAL . 4.1 t -91.24 -33.67 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.902 -173.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.557 ' N ' HG21 ' A' ' 817' ' ' THR . 86.0 t -59.19 -56.17 38.79 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -171.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 818' ' ' VAL . 13.9 Cg_endo -57.83 -38.41 92.79 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 121.873 1.715 . . . . 0.0 112.532 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.43 -32.96 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.809 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . 0.725 ' HB3' HD13 ' A' ' 844' ' ' LEU . 1.2 m-20 -67.39 -37.33 82.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.989 0.423 . . . . 0.0 110.014 176.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.92 -44.62 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.853 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.28 -39.78 76.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.069 174.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.649 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -66.01 -48.43 71.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.304 178.249 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.563 HD13 HD12 ' A' ' 844' ' ' LEU . 7.1 mt -49.66 -46.8 50.13 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.108 0.48 . . . . 0.0 110.233 175.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -60.76 -43.72 97.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.965 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 63.7 m -67.98 -45.64 73.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.512 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 28.5 mm-40 -69.21 -28.1 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.974 0.416 . . . . 0.0 110.501 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . 0.56 ' HA ' HD13 ' A' ' 837' ' ' LEU . . . -69.07 -37.58 78.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.694 176.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.85 72.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.254 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -9.11 44.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.434 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.82 34.4 17.16 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.412 -175.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -87.34 73.8 9.56 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.706 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 88.9 m-85 -60.4 -21.34 62.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.724 -175.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.71 82.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.312 0.577 . . . . 0.0 109.793 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -79.12 -31.83 44.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.394 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.706 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.2 OUTLIER -59.31 -45.72 90.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.187 173.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.58 94.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.521 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -57.12 -47.26 81.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.126 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.635 HG23 ' HB3' ' A' ' 824' ' ' ARG . 0.3 OUTLIER -72.88 -41.86 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.718 -178.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . 0.671 ' O ' ' HG3' ' A' ' 845' ' ' LYS . . . -58.62 -47.02 85.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.477 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . 0.643 ' HA ' ' HD3' ' A' ' 845' ' ' LYS . 3.0 t60 -58.29 -44.0 88.3 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.469 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.483 ' HD3' ' HA ' ' A' ' 843' ' ' ARG . 0.0 OUTLIER -61.95 -40.55 95.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.749 179.315 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.725 HD13 ' HB3' ' A' ' 821' ' ' ASP . 0.0 OUTLIER -64.29 -41.54 96.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.437 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.671 ' HG3' ' O ' ' A' ' 841' ' ' ALA . 29.2 mtpt -55.57 -48.86 74.12 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -62.13 -45.41 96.11 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.626 -0.715 . . . . 0.0 113.415 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.568 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 17.7 m -73.84 -37.34 48.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 117.321 0.561 . . . . 0.0 111.307 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.476 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 0.9 OUTLIER -68.3 -42.15 79.87 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 177.377 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.27 -26.89 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.998 0.428 . . . . 0.0 110.486 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 850' ' ' MET . . . . . 0.521 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 0.1 OUTLIER -62.87 -45.04 94.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.264 177.114 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 810' ' ' TYR . 0.0 OUTLIER -85.77 -7.66 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.556 176.222 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.91 39.16 0.67 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.92 0.867 . . . . 0.0 110.461 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.561 ' HG ' HD11 ' A' ' 851' ' ' LEU . 1.4 mt -85.43 75.03 10.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.418 175.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.753 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 21.2 t -50.35 -58.59 9.31 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -173.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.753 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 51.8 Cg_exo -56.25 -43.13 59.01 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.205 1.937 . . . . 0.0 112.674 -177.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.02 -45.91 78.18 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.812 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 861' ' ' GLU . 0.0 OUTLIER -63.2 -41.23 99.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.497 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -58.12 -40.71 81.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.617 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.43 -42.56 92.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.012 176.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 22.6 m -66.75 -35.09 79.29 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.736 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . 0.617 ' HG2' ' HE3' ' A' ' 845' ' ' LYS . 8.1 mt-10 -66.21 -48.92 69.04 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.39 0.614 . . . . 0.0 110.168 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 862' ' ' THR . . . . . 0.587 ' HB ' ' HE2' ' A' ' 878' ' ' TYR . 1.9 m -63.68 -31.85 73.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.298 176.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -42.19 99.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.337 175.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -57.84 -44.62 86.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.971 0.415 . . . . 0.0 110.013 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.44 -46.98 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.006 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 866' ' ' LEU . 67.1 mt -61.71 -31.97 72.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.598 0.237 . . . . 0.0 111.084 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 22.1 mt -72.98 -41.74 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.43 -30.89 71.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.362 177.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 4.3 tt0 -84.05 -20.06 33.33 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.913 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.29 40.58 6.51 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.764 -174.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -83.35 77.78 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.452 -0.794 . . . . 0.0 108.928 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.637 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 2.6 t -49.2 -55.37 21.7 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.818 -173.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.637 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.2 Cg_exo -54.52 -43.63 57.07 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.2 1.933 . . . . 0.0 112.263 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -66.71 -39.16 93.6 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.087 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.513 ' O ' HG13 ' A' ' 879' ' ' ILE . 71.0 mt -57.66 -58.5 5.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.469 0.176 . . . . 0.0 110.895 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 6.8 pt-20 -65.04 -36.97 86.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.991 -176.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -38.21 90.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.886 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.587 ' HE2' ' HB ' ' A' ' 862' ' ' THR . 2.5 m-85 -69.99 -40.71 75.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.663 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 875' ' ' ILE . 20.8 mt -64.6 -30.81 51.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.952 0.406 . . . . 0.0 110.062 175.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 28.1 m -67.65 -37.58 82.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.189 175.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.75 -32.46 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.57 -34.01 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.466 0.651 . . . . 0.0 109.865 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.45 -38.27 71.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.308 -177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 884' ' ' SER . . . . . 0.437 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 3.0 p -73.7 -29.99 62.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.396 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -61.45 -57.39 12.4 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.157 0.979 . . . . 0.0 109.297 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.552 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.9 OUTLIER -58.65 -36.47 60.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 114.062 -1.426 . . . . 0.0 109.734 178.173 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 0.0 OUTLIER -57.85 -43.85 86.16 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.526 177.595 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.19 -18.65 41.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.191 -176.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 85.9 mt -86.81 -15.2 39.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.109 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 33.6 mt . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.502 174.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . 0.627 ' HA ' HD21 ' A' ' 805' ' ' LEU . 15.0 p-10 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.734 0.302 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -73.05 -37.87 66.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.915 0.388 . . . . 0.0 110.245 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -47.05 82.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.556 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.627 HD21 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -67.09 -31.55 72.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.418 178.679 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 802' ' ' ASN . 3.5 t-160 -67.43 -40.42 85.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.655 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -74.17 -40.19 62.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.53 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 11.7 m -76.17 3.62 10.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 75.49 20.18 78.77 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.94 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . 0.598 ' HB3' HD21 ' A' ' 851' ' ' LEU . 12.4 m-85 -85.0 -12.58 52.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.81 0.338 . . . . 0.0 110.799 -178.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.95 -30.04 70.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.914 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -61.33 -36.0 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.063 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 2.4 mp -85.3 -35.07 21.72 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.363 0.601 . . . . 0.0 110.234 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.434 ' HZ ' HD11 ' A' ' 889' ' ' LEU . 5.9 t80 -56.03 -58.99 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.021 -176.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 27.5 m -82.86 3.01 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.937 0.399 . . . . 0.0 111.348 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . 0.583 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 3.2 t70 -96.05 -57.23 2.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.682 -175.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.3 t -106.54 -30.72 8.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . . . . . . . . . 94.4 t -58.89 -59.18 14.62 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -171.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.722 ' HA ' HG23 ' A' ' 822' ' ' VAL . 30.4 Cg_endo -64.53 -29.84 61.51 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.743 1.629 . . . . 0.0 112.821 -178.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.12 -40.95 67.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.116 0.484 . . . . 0.0 109.939 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.56 -43.13 77.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.828 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . 0.722 HG23 ' HA ' ' A' ' 819' ' ' PRO . 34.7 m -67.75 -31.6 53.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.695 0.283 . . . . 0.0 111.157 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . 0.4 ' N ' HG21 ' A' ' 822' ' ' VAL . 4.7 mtmm -65.45 -45.96 81.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 11.3 mtp180 -64.47 -37.25 86.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.356 176.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.483 ' HG ' HG23 ' A' ' 840' ' ' THR . 0.8 OUTLIER -54.61 -45.74 73.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.156 175.035 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -37.53 87.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.425 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.1 m -65.32 -46.64 79.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.7 mm-40 -71.14 -25.66 62.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.946 0.403 . . . . 0.0 110.471 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.36 84.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.361 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.26 -24.66 65.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.282 0.563 . . . . 0.0 110.511 175.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 18.9 m -81.15 -11.53 59.43 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.004 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.49 29.02 17.04 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.355 0.662 . . . . 0.0 110.476 -179.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -86.87 78.88 8.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.604 0.716 . . . . 0.0 109.755 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.574 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 61.1 m-85 -60.37 -23.84 64.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.187 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.89 85.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.208 0.528 . . . . 0.0 110.1 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.73 58.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.716 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.574 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.1 OUTLIER -57.09 -51.14 70.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.031 175.244 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.0 91.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.165 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -47.61 85.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.659 0.266 . . . . 0.0 111.655 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.483 HG23 ' HG ' ' A' ' 825' ' ' LEU . 1.6 m -72.68 -24.96 61.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.741 0.305 . . . . 0.0 111.119 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.25 86.51 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -61.71 -44.34 97.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.473 ' O ' HG23 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -55.23 -51.44 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.668 177.456 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.415 ' HA ' HG23 ' A' ' 847' ' ' VAL . 1.1 mm? -67.38 -39.63 85.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.977 -176.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -61.54 -45.01 95.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.124 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.86 -47.17 68.14 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.852 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.696 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 16.9 m -66.17 -40.72 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 117.225 0.512 . . . . 0.0 111.526 -177.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.406 ' N ' HG21 ' A' ' 847' ' ' VAL . 1.4 m-30 -65.75 -45.8 81.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.01 70.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.235 0.541 . . . . 0.0 110.338 176.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -43.33 76.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.615 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 8.9 mt -77.88 -6.03 52.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.565 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . 0.588 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 2.0 m-80 85.75 9.48 0.3 Allowed 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.1 0.875 . . . . 0.0 110.402 175.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 853' ' ' LEU . 15.5 mt -78.23 81.21 4.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.622 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.46 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 9.6 t -56.67 -56.33 33.69 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.233 -178.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.509 ' HG2' ' OH ' ' A' ' 885' ' ' TYR . 10.5 Cg_endo -56.33 -37.72 96.42 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.323 2.015 . . . . 0.0 113.02 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.48 -50.58 54.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.575 -0.822 . . . . 0.0 111.416 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -38.85 77.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . 0.44 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 1.2 tt0 -55.66 -41.8 74.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.837 176.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.2 -44.86 94.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.998 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 3.6 m -62.43 -36.76 83.4 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.951 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . 0.44 ' HG3' ' HA ' ' A' ' 858' ' ' GLN . 2.0 mt-10 -62.97 -51.54 66.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.09 0.471 . . . . 0.0 110.553 178.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 862' ' ' THR . . . . . 0.511 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -62.22 -33.29 74.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.77 177.757 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.445 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -61.97 -42.67 99.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.214 175.881 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -59.46 -42.09 91.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.15 -33.6 76.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.483 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . 0.427 HD23 ' HA3' ' A' ' 874' ' ' GLY . 30.7 mt -72.01 -34.14 68.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.727 0.299 . . . . 0.0 110.519 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.532 HG13 HD13 ' A' ' 875' ' ' ILE . 11.7 mt -67.3 -45.18 86.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.992 175.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.621 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -60.15 -37.94 81.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.377 177.569 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.621 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.2 OUTLIER -82.27 -13.2 57.4 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.992 -176.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp 65.01 44.66 3.35 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.279 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . 0.569 ' O ' HG12 ' A' ' 875' ' ' ILE . 6.0 t70 -100.5 93.09 5.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.394 177.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.649 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 4.1 t -54.11 -52.85 64.9 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.898 -178.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.649 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.4 Cg_exo -54.53 -39.41 88.34 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.234 1.956 . . . . 0.0 112.467 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . 0.427 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -62.46 -40.35 98.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.993 176.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.645 HG21 HD13 ' A' ' 879' ' ' ILE . 43.9 mm -58.4 -53.15 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.443 0.163 . . . . 0.0 110.82 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -39.5 87.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.599 0.238 . . . . 0.0 110.878 -178.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -66.22 -44.05 84.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.179 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.511 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 2.4 m-85 -75.44 -32.39 60.66 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.303 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.645 HD13 HG21 ' A' ' 875' ' ' ILE . 70.8 mt -67.41 -39.11 82.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.255 175.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.2 p -70.12 -30.8 68.09 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.273 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -36.19 72.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.116 0.484 . . . . 0.0 110.351 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -32.53 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.831 173.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 1.1 t70 -73.29 -45.98 52.39 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.574 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 9.9 p -64.16 -30.4 71.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.11 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . 0.509 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 26.2 t80 -60.37 -58.19 9.55 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 122.023 0.916 . . . . 0.0 109.749 174.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.7 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.5 OUTLIER -66.49 -35.67 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.414 -177.246 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 0.5 OUTLIER -55.23 -47.62 75.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.181 176.16 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 3.5 m -70.89 -31.38 68.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . 0.434 HD11 ' HZ ' ' A' ' 814' ' ' PHE . 38.3 mt -69.9 -53.01 19.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.902 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.335 -0.841 . . . . 0.0 110.794 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.477 0.179 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.86 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.017 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -62.52 -41.85 99.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.775 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 814' ' ' PHE . 2.0 tp -65.42 -33.88 76.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.689 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -76.58 -36.21 57.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.29 80.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.484 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.37 -13.22 59.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 110.789 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 75.52 16.82 80.4 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.777 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -92.83 10.0 32.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.022 0.439 . . . . 0.0 110.846 -177.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -33.87 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.359 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -62.27 -43.51 98.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.836 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -36.1 77.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.123 0.487 . . . . 0.0 110.314 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.525 ' HB2' HD13 ' A' ' 805' ' ' LEU . 46.3 t80 -60.0 -46.92 87.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.985 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 23.3 m -87.46 -0.2 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 111.609 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 9.9 t70 -95.62 -63.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.186 0.517 . . . . 0.0 110.615 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 4.0 m -79.17 -49.33 12.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.654 -172.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.786 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 39.8 t -56.68 -61.18 7.31 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -168.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.786 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.9 Cg_exo -59.72 -40.65 62.43 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.771 1.647 . . . . 0.0 112.144 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.99 -51.36 59.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.994 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.6 -32.82 72.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.727 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 2.2 t -63.14 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.402 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -65.11 -41.56 94.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.391 176.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.1 OUTLIER -65.54 -37.36 86.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.796 0.332 . . . . 0.0 110.114 176.4 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -44.33 83.16 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.904 174.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -56.87 -44.83 82.63 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.463 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 4.2 m -61.92 -45.64 92.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.229 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 5.3 mm-40 -79.64 -25.74 41.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.403 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.15 88.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.587 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.73 -24.43 65.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.259 0.552 . . . . 0.0 110.669 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 45.6 m -83.17 -14.42 53.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.861 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.91 31.99 8.9 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.529 0.681 . . . . 0.0 110.122 -176.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -88.24 74.25 8.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.451 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 75.8 m-85 -62.53 -26.73 68.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.483 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.66 98.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.303 0.573 . . . . 0.0 109.783 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.12 -36.02 61.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.627 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.5 OUTLIER -60.49 -44.36 96.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.401 176.592 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.47 94.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.51 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -58.7 -47.67 83.73 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.16 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -38.95 68.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.868 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.35 78.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.777 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -69.31 -42.32 75.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -48.49 81.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.318 177.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.541 ' HA ' HG23 ' A' ' 847' ' ' VAL . 8.2 mt -66.01 -44.06 85.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.673 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.488 ' HZ2' ' HA ' ' A' ' 861' ' ' GLU . 27.5 ttmt -54.08 -47.35 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.204 177.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -65.42 -48.52 68.04 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.86 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.747 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 27.3 m -65.61 -44.04 93.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.96 0.38 . . . . 0.0 111.391 -176.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.499 ' N ' HG21 ' A' ' 847' ' ' VAL . 12.4 m-85 -62.36 -41.07 98.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.3 . . . . 0.0 110.333 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.43 96.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.84 176.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -35.68 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.829 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.747 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 19.8 mt -80.48 -11.04 59.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.65 0.262 . . . . 0.0 110.479 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.77 26.65 2.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.626 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.509 HD21 ' HE2' ' A' ' 885' ' ' TYR . 0.4 OUTLIER -87.13 84.34 7.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.56 177.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.657 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 1.8 t -53.39 -59.32 9.62 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -173.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.657 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 32.3 Cg_exo -58.58 -40.02 77.66 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.043 1.829 . . . . 0.0 112.194 -177.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -64.25 -45.13 94.4 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.925 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -36.03 82.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 109.988 178.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -59.75 -44.6 93.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.327 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 863' ' ' LEU . 12.3 mt -59.49 -43.46 93.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.315 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 39.3 m -64.82 -30.39 71.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.045 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . 0.488 ' HA ' ' HZ2' ' A' ' 845' ' ' LYS . 9.7 mm-40 -66.07 -53.86 32.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.526 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 862' ' ' THR . . . . . 0.492 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -64.83 -38.84 92.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.847 178.788 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.572 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.5 OUTLIER -57.94 -49.39 76.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.734 0.302 . . . . 0.0 110.548 177.031 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -45.62 75.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.535 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . 0.438 ' O ' ' HG2' ' A' ' 869' ' ' GLU . 3.1 t60 -64.62 -38.18 90.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.688 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . 0.646 HD23 ' HA3' ' A' ' 874' ' ' GLY . 12.9 mt -66.98 -30.31 70.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.889 0.376 . . . . 0.0 110.763 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.677 ' HA ' HD12 ' A' ' 875' ' ' ILE . 33.5 mt -73.66 -39.26 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.515 ' HD2' ' OE2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.3 -36.39 81.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.391 177.482 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.515 ' OE2' ' HD2' ' A' ' 868' ' ' ARG . 77.3 mm-40 -79.52 -10.56 59.82 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.37 177.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm 61.82 42.87 10.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.992 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.58 94.57 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.86 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.489 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.3 t -55.77 -53.94 57.34 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.597 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 9.9 Cg_endo -52.45 -45.02 42.65 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.42 2.08 . . . . 0.0 112.768 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . 0.646 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -62.93 -43.95 98.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.933 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 867' ' ' ILE . 59.1 mt -59.38 -48.26 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.624 0.249 . . . . 0.0 110.626 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -57.64 -52.35 65.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.295 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -58.64 -43.33 89.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.168 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.572 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 8.4 m-85 -71.09 -38.17 72.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.798 -176.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.87 -45.36 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.412 . . . . 0.0 109.915 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 10.6 m -65.97 -29.26 69.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.13 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -32.24 66.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.039 0.447 . . . . 0.0 110.256 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . 0.514 HD13 HD11 ' A' ' 863' ' ' LEU . 17.7 mt -73.32 -32.7 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.215 0.531 . . . . 0.0 109.948 173.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.79 -41.96 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.2 p -70.06 -30.5 67.77 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.042 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . 0.509 ' HE2' HD21 ' A' ' 853' ' ' LEU . 16.9 t80 -59.55 -58.57 8.01 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.838 0.827 . . . . 0.0 110.312 177.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.544 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 8.3 p -68.5 -31.83 52.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.915 -174.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -65.3 -39.23 92.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.01 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 5.4 p -83.52 -19.61 35.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.941 0.401 . . . . 0.0 110.842 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.26 -11.34 38.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.56 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 24.5 mt . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.574 -0.727 . . . . 0.0 111.015 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--O 1.237 0.402 0 CA-C-O 120.872 0.368 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . 0.575 ' HA ' ' CD2' ' A' ' 806' ' ' HIS . . . -58.68 -49.91 75.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.172 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -43.95 96.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.946 0.403 . . . . 0.0 110.213 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.752 HD12 ' HB2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -62.19 -45.21 94.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.03 -175.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 803' ' ' ALA . 2.3 p80 -80.09 -15.56 56.89 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.915 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.74 75.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.699 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -18.74 59.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.019 0.438 . . . . 0.0 110.83 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 89.05 32.31 10.89 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.288 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . 0.558 ' HB3' HD21 ' A' ' 851' ' ' LEU . 15.6 m-85 -100.53 11.05 40.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.815 0.341 . . . . 0.0 110.779 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.456 ' HD1' ' HA ' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -57.37 -41.68 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.876 -178.444 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.8 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.504 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -31.18 62.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.417 . . . . 0.0 110.487 -177.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.752 ' HB2' HD12 ' A' ' 805' ' ' LEU . 33.9 t80 -61.41 -52.58 64.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.002 -178.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.8 m -80.22 -2.12 5.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.844 0.354 . . . . 0.0 111.425 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -93.26 -65.37 1.0 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.045 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 817' ' ' THR . . . . . 0.653 HG21 ' N ' ' A' ' 818' ' ' VAL . 0.6 OUTLIER -81.07 -41.94 21.81 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -169.794 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.793 HG13 HG23 ' A' ' 886' ' ' VAL . 6.7 t -63.43 -57.76 18.64 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -168.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.657 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.4 Cg_exo -53.89 -42.8 63.63 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.162 1.908 . . . . 0.0 112.966 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.19 -27.28 30.12 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.672 -175.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.91 -38.42 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.56 -38.91 83.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.776 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 826' ' ' TYR . 0.1 OUTLIER -54.83 -49.36 71.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.529 172.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -39.59 94.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.431 ' HG ' ' HB ' ' A' ' 840' ' ' THR . 0.6 OUTLIER -55.05 -43.59 73.92 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.12 0.486 . . . . 0.0 109.817 174.171 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 823' ' ' LYS . 3.9 m-85 -60.51 -42.7 96.94 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.571 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 1.9 m -70.41 -45.06 66.65 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.463 -176.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.84 -28.02 62.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.497 -177.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.99 91.64 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.47 91.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.155 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.75 -9.09 59.6 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.871 0.367 . . . . 0.0 111.286 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.5 m 64.96 28.89 12.51 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.587 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -85.65 75.11 10.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 173.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -61.53 -29.85 70.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.124 -174.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.1 95.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.136 0.493 . . . . 0.0 109.879 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.47 -36.15 53.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.817 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.452 ' HB3' HG22 ' A' ' 867' ' ' ILE . 16.7 tp -56.33 -48.04 77.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.295 176.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.21 85.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.664 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -60.29 -45.99 91.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.431 ' HB ' ' HG ' ' A' ' 825' ' ' LEU . 0.2 OUTLIER -65.81 -35.19 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.333 . . . . 0.0 111.066 177.394 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . 0.463 ' HB2' ' HG3' ' A' ' 864' ' ' GLU . . . -65.34 -34.72 78.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.99 0.424 . . . . 0.0 110.212 175.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . 0.526 ' HA ' ' CD ' ' A' ' 845' ' ' LYS . 1.8 t60 -66.83 -40.91 88.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.226 175.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -47.46 85.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.968 175.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 3.0 mt -62.15 -48.96 77.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.613 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.526 ' CD ' ' HA ' ' A' ' 842' ' ' HIS . 7.6 ptmt -62.28 -31.06 71.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.56 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -71.16 -48.8 30.0 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.415 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.693 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 13.4 m -67.89 -40.64 83.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.66 0.23 . . . . 0.0 111.103 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.408 ' HD1' ' CB ' ' A' ' 853' ' ' LEU . 13.2 m-85 -60.66 -46.73 89.24 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.69 76.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.974 0.416 . . . . 0.0 110.895 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.3 ttt -67.16 -43.66 81.7 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 8.6 mt -78.71 -8.47 58.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.675 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 78.9 26.04 0.48 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.948 0.78 . . . . 0.0 110.391 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.433 HD23 HD22 ' A' ' 889' ' ' LEU . 77.9 mt -88.66 78.62 7.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.434 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.511 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.3 OUTLIER -54.09 -56.56 24.71 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 115.181 -0.918 . . . . 0.0 113.196 -172.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.511 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 49.6 Cg_exo -56.43 -41.87 71.6 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.048 1.832 . . . . 0.0 112.231 -178.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 859' ' ' LEU . . . -63.31 -45.48 95.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.966 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -63.23 -39.31 94.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.738 0.304 . . . . 0.0 110.428 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -43.64 95.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.422 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.427 HD13 ' HA2' ' A' ' 856' ' ' GLY . 31.4 mt -60.21 -41.74 93.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 863' ' ' LEU . 35.5 m -68.87 -25.69 64.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.321 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . 0.446 ' HA ' ' HZ3' ' A' ' 845' ' ' LYS . 8.8 mm-40 -65.66 -53.44 41.15 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.229 0.538 . . . . 0.0 109.651 175.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -37.39 86.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.829 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.501 HD21 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -54.05 -53.03 58.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.653 176.468 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . 0.463 ' HG3' ' HB2' ' A' ' 841' ' ' ALA . 0.9 OUTLIER -56.35 -42.99 78.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.571 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -59.27 -44.64 92.44 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 15.1 mt -66.77 -32.39 73.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 837' ' ' LEU . 32.6 mt -77.19 -36.73 24.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.552 0.692 . . . . 0.0 109.255 -178.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.02 -36.75 85.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.708 178.044 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 21.2 pt-20 -90.25 -1.93 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.051 0.453 . . . . 0.0 110.635 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.36 43.4 13.51 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.923 176.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -94.08 92.57 7.37 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.654 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 17.6 t -55.47 -54.63 48.98 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.471 -174.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.654 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 55.6 Cg_exo -52.93 -45.17 42.83 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.443 2.096 . . . . 0.0 112.695 -178.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -66.68 -38.24 93.05 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.137 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 879' ' ' ILE . 65.5 mt -57.46 -58.37 6.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.527 0.203 . . . . 0.0 110.75 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -34.96 79.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.861 -177.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -47.84 83.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.656 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -71.13 -37.67 72.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.833 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 875' ' ' ILE . 55.1 mt -62.39 -44.48 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.851 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 22.3 p -68.8 -30.9 69.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.753 0.311 . . . . 0.0 110.407 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -38.79 71.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.573 177.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 67.8 mt -65.27 -33.09 61.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.476 0.655 . . . . 0.0 109.878 173.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . 0.549 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 4.5 t70 -71.8 -48.1 48.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.354 -177.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 7.4 p -66.4 -33.19 75.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.11 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 50.9 t80 -51.81 -57.28 9.76 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.382 1.087 . . . . 0.0 109.386 173.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.793 HG23 HG13 ' A' ' 818' ' ' VAL . 1.1 t -65.21 -31.72 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 CA-C-N 113.041 -1.89 . . . . 0.0 110.895 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 6.8 mmtp -56.97 -48.67 77.84 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.775 176.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -26.39 60.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 814' ' ' PHE . 0.2 OUTLIER -79.2 -16.13 57.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.762 -178.455 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 56.6 mt . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.835 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . 0.67 ' HA ' HD21 ' A' ' 805' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.722 0.296 . . . . 0.0 110.48 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.79 88.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.003 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -41.21 78.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.67 HD21 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -62.88 -31.92 73.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.267 0.556 . . . . 0.0 110.343 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -43.28 76.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.454 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -69.07 -26.52 64.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.851 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.84 -11.77 56.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.432 . . . . 0.0 110.944 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 80.49 13.95 80.84 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.398 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . 0.453 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.1 OUTLIER -89.81 -0.28 57.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.146 0.498 . . . . 0.0 110.118 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.57 ' HD1' HD22 ' A' ' 805' ' ' LEU . 59.5 t80 -64.33 -24.31 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.764 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -61.64 -48.65 79.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.004 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -39.59 94.74 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.215 0.531 . . . . 0.0 110.186 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.43 -48.33 71.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.505 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 34.8 m -93.57 12.02 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.976 0.417 . . . . 0.0 111.435 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -106.59 -59.11 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.68 -40.33 10.79 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.614 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 21.5 t -59.78 -55.52 44.92 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -169.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.614 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.4 Cg_exo -55.7 -49.14 16.8 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.852 1.701 . . . . 0.0 112.648 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 824' ' ' ARG . 26.1 t70 -61.19 -39.78 91.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.874 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.83 -32.21 63.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.464 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 11.5 t -61.8 -51.04 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.812 0.339 . . . . 0.0 110.197 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 820' ' ' ASP . 0.9 OUTLIER -70.58 -25.32 63.02 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.15 177.832 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.583 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -65.44 -46.49 79.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.873 174.145 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.498 HD22 ' HB ' ' A' ' 840' ' ' THR . 5.9 mt -56.01 -42.64 76.76 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.258 176.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -58.98 -40.7 85.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.591 175.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 19.7 m -66.17 -45.12 82.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.875 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 5.0 mm-40 -66.2 -33.32 75.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.398 . . . . 0.0 110.329 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.48 73.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.497 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.53 90.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.264 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.29 -4.41 41.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.284 177.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 56.46 32.15 20.18 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.572 0.749 . . . . 0.0 110.225 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -92.76 76.03 4.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.554 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.617 ' HA ' HD11 ' A' ' 837' ' ' LEU . 86.1 m-85 -58.31 -29.04 65.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.88 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.33 88.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.329 0.585 . . . . 0.0 110.164 176.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.72 -36.49 50.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.617 HD11 ' HA ' ' A' ' 834' ' ' PHE . 0.7 OUTLIER -55.1 -48.35 73.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.979 173.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 842' ' ' HIS . . . -63.62 -37.84 88.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.2 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -62.27 -48.21 80.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.904 0.383 . . . . 0.0 110.615 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.498 ' HB ' HD22 ' A' ' 825' ' ' LEU . 2.0 m -63.24 -46.38 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.861 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.61 73.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.996 0.427 . . . . 0.0 111.067 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 845' ' ' LYS . 8.1 t60 -67.92 -39.63 83.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.993 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -32.56 71.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.171 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.512 ' HA ' HG21 ' A' ' 847' ' ' VAL . 7.0 mt -68.17 -39.95 82.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.257 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.542 ' HE2' ' HA ' ' A' ' 861' ' ' GLU . 84.6 mttt -50.12 -53.8 24.96 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.177 0.513 . . . . 0.0 110.021 171.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -59.53 -45.85 94.91 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 114.839 -1.073 . . . . 0.0 113.29 -176.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.652 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 20.2 m -71.13 -38.24 70.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 117.28 0.54 . . . . 0.0 111.663 -176.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.455 ' HA ' HD13 ' A' ' 851' ' ' LEU . 12.7 m-85 -67.84 -42.77 80.89 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -65.44 -29.1 69.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.147 0.499 . . . . 0.0 110.322 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 850' ' ' MET . . . . . 0.426 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 5.0 ttm -64.02 -43.27 96.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.701 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -84.23 -9.46 58.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.389 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.43 35.08 2.07 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.938 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.467 ' HG ' HD11 ' A' ' 851' ' ' LEU . 0.4 OUTLIER -83.67 89.72 7.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.45 -1.25 . . . . 0.0 109.101 175.408 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.737 HG12 ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -58.91 -51.48 81.6 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.486 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.737 ' HD3' HG12 ' A' ' 854' ' ' VAL . 29.4 Cg_exo -61.09 -39.59 58.34 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 121.672 1.581 . . . . 0.0 112.267 -176.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -64.43 -48.45 73.68 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.203 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.45 -35.35 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -57.76 -44.85 86.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.146 0.498 . . . . 0.0 110.364 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 863' ' ' LEU . 19.7 mt -62.22 -43.68 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.481 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 38.8 m -62.92 -33.39 75.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.358 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . 0.542 ' HA ' ' HE2' ' A' ' 845' ' ' LYS . 1.9 mm-40 -67.82 -53.66 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.692 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 862' ' ' THR . . . . . 0.539 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -63.26 -32.61 74.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.958 178.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.635 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -60.34 -48.28 82.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.412 175.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . 0.521 ' HA ' HD11 ' A' ' 867' ' ' ILE . 0.9 OUTLIER -61.47 -34.98 76.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.714 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -63.3 -43.51 97.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.895 0.379 . . . . 0.0 110.231 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 15.0 mt -65.41 -31.15 72.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.915 0.388 . . . . 0.0 110.399 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.538 ' HA ' HD13 ' A' ' 875' ' ' ILE . 57.4 mt -72.04 -41.73 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.534 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -27.89 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.82 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -88.08 -7.05 57.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.286 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.33 37.21 25.94 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.14 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -91.58 86.39 6.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.895 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.537 ' O ' ' HG2' ' A' ' 876' ' ' GLU . 0.7 OUTLIER -52.96 -55.2 35.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.757 -173.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.4 Cg_endo -55.69 -38.14 94.63 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.409 2.073 . . . . 0.0 112.158 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.46 -41.79 90.11 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.615 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.538 HD13 ' HA ' ' A' ' 867' ' ' ILE . 52.7 mt -61.89 -55.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.791 -0.205 . . . . 0.0 110.851 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 6.8 pt-20 -59.82 -38.49 82.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.974 -176.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -37.16 85.29 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.844 0.354 . . . . 0.0 110.747 178.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.635 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -71.65 -34.74 70.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.639 0.257 . . . . 0.0 110.686 179.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 875' ' ' ILE . 50.4 mt -63.6 -41.34 92.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 176.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -28.95 66.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.905 0.383 . . . . 0.0 110.44 178.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.84 -35.92 75.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.456 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . 0.415 ' O ' HG21 ' A' ' 882' ' ' ILE . 7.1 mt -69.97 -33.39 55.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.388 0.614 . . . . 0.0 109.586 172.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -69.85 -43.52 71.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.373 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.8 p -69.98 -36.69 75.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.176 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -54.61 -58.28 8.14 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 122.473 1.13 . . . . 0.0 109.878 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.71 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.0 OUTLIER -68.68 -32.29 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.235 -176.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -55.93 -42.47 76.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.234 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.27 -19.53 24.0 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.37 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -10.56 56.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.58 0.229 . . . . 0.0 111.524 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 86.2 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.505 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 14.5 t30 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.814 0.34 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.16 84.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.518 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.63 -47.47 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.83 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.551 ' HA ' ' HE1' ' A' ' 810' ' ' TYR . 0.0 OUTLIER -62.04 -36.49 81.75 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -177.715 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -71.53 -40.85 69.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.758 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.63 86.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.578 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 12.6 m -68.5 -19.76 64.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 111.133 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 93.66 -2.01 69.53 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.689 -0.767 . . . . 0.0 114.473 168.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . 0.551 ' HE1' ' HA ' ' A' ' 805' ' ' LEU . 0.2 OUTLIER -91.05 39.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.885 0.842 . . . . 0.0 110.958 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.407 ' CE1' HD22 ' A' ' 805' ' ' LEU . 21.7 t80 -67.22 -26.93 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.405 178.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.22 77.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.196 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . 0.444 HD21 ' HA ' ' A' ' 813' ' ' LEU . 18.9 mt -59.34 -32.0 69.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.09 -177.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.541 ' HB2' HD12 ' A' ' 805' ' ' LEU . 30.9 t80 -63.47 -30.94 71.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.847 -176.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.44 -25.13 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.517 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.25 -52.02 10.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.284 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.76 -46.81 4.81 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 -172.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.688 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 95.0 t -53.83 -56.82 21.42 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -172.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.688 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 38.8 Cg_exo -61.65 -33.73 85.71 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.209 1.94 . . . . 0.0 111.977 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -70.09 -38.91 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.2 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -37.55 82.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.627 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 92.2 t -62.8 -43.37 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.154 0.502 . . . . 0.0 109.813 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . 0.437 ' HE3' ' HB3' ' A' ' 823' ' ' LYS . 15.7 ttpp -64.65 -38.07 89.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.004 175.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.753 ' HG2' HG22 ' A' ' 840' ' ' THR . 0.0 OUTLIER -60.73 -42.29 97.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.227 176.352 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.62 ' HG ' HG23 ' A' ' 840' ' ' THR . 4.1 mt -55.71 -45.69 77.84 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 174.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.451 ' CE1' HG23 ' A' ' 879' ' ' ILE . 10.2 m-85 -60.76 -36.64 79.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.803 176.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 7.2 m -70.11 -42.04 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.737 -175.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 47.8 mm-40 -78.61 -27.64 45.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.854 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . 0.553 ' HA ' HD23 ' A' ' 837' ' ' LEU . . . -69.59 -29.64 67.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.074 173.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.74 79.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.808 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.43 -10.98 53.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.166 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 65.4 29.38 11.42 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.5 0.667 . . . . 0.0 110.115 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -84.93 78.47 9.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.272 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.719 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 52.2 m-85 -57.85 -27.64 63.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.482 -178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.19 93.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.226 0.536 . . . . 0.0 109.882 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -79.1 -29.35 43.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.748 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.719 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.0 OUTLIER -60.4 -46.57 89.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.039 173.828 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.35 97.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.458 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -60.68 -47.62 85.45 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.014 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.753 HG22 ' HG2' ' A' ' 824' ' ' ARG . 6.0 m -69.01 -38.18 79.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.26 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.32 82.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.162 0.506 . . . . 0.0 109.873 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -70.73 -37.55 73.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.342 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -48.06 81.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.27 177.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.523 HD21 ' HA ' ' A' ' 844' ' ' LEU . 1.9 mt -66.35 -41.11 90.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -56.73 -45.9 81.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.931 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.25 -48.11 66.8 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.997 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.552 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 23.7 m -68.26 -36.86 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 117.354 0.577 . . . . 0.0 111.329 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.69 -38.3 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.05 -32.68 74.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.085 0.469 . . . . 0.0 110.328 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -37.47 74.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.582 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 73.1 mt -80.23 -8.49 59.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.157 175.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 68.25 27.01 6.79 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.559 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.485 HD12 ' HE2' ' A' ' 885' ' ' TYR . 0.9 OUTLIER -85.66 93.23 8.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.768 179.649 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.647 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 1.7 t -54.06 -58.26 14.35 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -174.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.647 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 47.9 Cg_exo -56.88 -42.44 64.51 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.892 1.728 . . . . 0.0 112.154 -178.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.02 -43.21 93.93 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.059 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . 0.598 ' HD3' ' HA ' ' A' ' 854' ' ' VAL . 0.0 OUTLIER -66.09 -38.94 89.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.712 0.291 . . . . 0.0 110.435 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . 0.49 ' N ' ' HG2' ' A' ' 857' ' ' LYS . 33.9 tt0 -65.46 -38.87 91.09 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.607 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -47.5 85.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.01 176.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 57.0 m -64.4 -36.32 83.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.499 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.0 -49.93 75.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.314 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 862' ' ' THR . . . . . 0.431 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.7 m -68.4 -35.27 77.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.852 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.538 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -60.13 -45.15 93.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.764 0.316 . . . . 0.0 110.213 175.497 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -37.22 81.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.527 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . 0.73 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 4.1 t60 -63.66 -33.89 76.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.328 174.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 863' ' ' LEU . 11.3 mt -74.57 -33.34 62.66 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 122.132 -0.355 . . . . 0.0 110.314 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.647 HD11 ' HB3' ' A' ' 837' ' ' LEU . 19.1 mm -66.83 -47.58 82.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.05 174.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.73 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -62.23 -34.68 76.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.705 179.115 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.594 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.8 OUTLIER -88.77 -2.73 58.74 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.408 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . 0.407 ' HD2' ' O ' ' A' ' 867' ' ' ILE . 2.2 mptm? 54.12 48.96 19.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.801 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -105.6 96.04 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.714 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.737 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 11.9 t -53.77 -56.98 19.65 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.445 -175.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.737 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.7 Cg_exo -54.34 -45.14 43.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 122.23 1.953 . . . . 0.0 112.42 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -65.51 -41.3 96.32 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.262 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.521 ' O ' HG13 ' A' ' 879' ' ' ILE . 59.6 mt -56.11 -59.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.412 0.148 . . . . 0.0 110.965 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . 0.557 ' HA ' HD13 ' A' ' 879' ' ' ILE . 10.9 pt-20 -66.53 -34.47 77.98 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.111 -176.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -59.43 -41.31 89.27 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.934 0.397 . . . . 0.0 110.517 177.503 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.538 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 2.5 m-85 -73.96 -32.32 63.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.557 HD13 ' HA ' ' A' ' 876' ' ' GLU . 64.7 mt -60.94 -41.69 89.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 1.5 m -63.15 -36.23 82.93 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.655 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.86 -39.96 87.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.819 0.342 . . . . 0.0 110.638 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . 0.403 HD13 HD13 ' A' ' 863' ' ' LEU . 94.9 mt -68.57 -33.93 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.129 0.49 . . . . 0.0 110.208 175.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . 0.507 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 0.0 OUTLIER -72.67 -42.09 64.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.63 -177.21 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.5 p -66.44 -33.22 75.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.743 176.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . 0.485 ' HE2' HD12 ' A' ' 853' ' ' LEU . 36.0 t80 -62.03 -58.11 9.09 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 122.503 1.144 . . . . 0.0 110.157 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 818' ' ' VAL . 0.9 OUTLIER -66.74 -31.41 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-N 113.637 -1.62 . . . . 0.0 110.743 -176.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 7.4 mtpt -69.72 -28.91 66.21 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.781 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 61.8 m -75.27 -28.74 59.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.473 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.15 -58.85 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.262 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--O 1.246 0.885 0 CA-C-O 119.104 -0.474 . . . . 0.0 111.199 -175.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.37 0.129 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.37 73.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.343 . . . . 0.0 111.225 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -39.59 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.491 -177.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' A' ' 814' ' ' PHE . 0.1 OUTLIER -64.42 -33.69 76.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.655 178.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -74.49 -44.64 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.582 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.04 76.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.834 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 3.1 p -80.21 -6.07 57.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.765 0.317 . . . . 0.0 111.134 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 76.39 12.27 84.4 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.574 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . 0.442 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.3 OUTLIER -80.49 -8.41 59.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.891 0.377 . . . . 0.0 110.514 -178.439 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -55.46 -37.91 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.978 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.98 94.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.845 177.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -37.06 83.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.228 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.515 ' HB2' HD12 ' A' ' 805' ' ' LEU . 88.7 t80 -63.78 -53.86 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.862 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.79 -17.13 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -175.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -74.84 -65.38 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -95.87 -36.89 10.95 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -171.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.63 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 64.4 t -58.1 -56.79 31.3 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -169.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.63 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 31.6 Cg_exo -59.4 -41.98 53.08 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.922 1.748 . . . . 0.0 112.55 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.926 ' HA ' ' HD3' ' A' ' 823' ' ' LYS . 0.5 OUTLIER -73.48 -34.31 65.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.751 -177.814 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -35.27 80.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 175.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . 0.633 ' HA ' HD11 ' A' ' 825' ' ' LEU . 49.9 t -63.9 -46.57 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.992 177.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . 0.926 ' HD3' ' HA ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -70.24 -26.11 63.69 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.348 178.335 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -68.47 -38.08 80.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 172.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.633 HD11 ' HA ' ' A' ' 822' ' ' VAL . 4.0 mt -60.57 -41.22 94.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 172.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.828 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 17.0 m-85 -55.1 -42.55 73.06 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.023 173.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 6.0 m -66.6 -45.26 79.76 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.621 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.603 ' HG2' ' HB2' ' A' ' 836' ' ' ALA . 0.0 OUTLIER -69.13 -40.9 77.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.227 -177.712 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.87 82.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.819 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.15 -26.88 66.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.513 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.86 1.05 52.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.548 0.213 . . . . 0.0 111.338 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.2 m 62.11 32.23 17.53 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.355 0.597 . . . . 0.0 110.692 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.64 70.45 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.332 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -58.45 -38.23 77.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.669 -173.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.85 85.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.347 0.594 . . . . 0.0 110.731 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 839' ' ' GLN . . . -80.76 -34.22 34.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.515 0.674 . . . . 0.0 109.293 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.653 HD23 HG22 ' A' ' 875' ' ' ILE . 15.1 tp -59.04 -39.58 82.42 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.788 172.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.41 -50.22 70.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.475 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . 0.608 ' HG3' ' O ' ' A' ' 836' ' ' ALA . 1.7 pp0? -61.26 -34.6 75.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.306 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.506 ' HB ' HD22 ' A' ' 825' ' ' LEU . 3.2 m -71.27 -43.73 66.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.876 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.66 -32.03 73.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.135 0.493 . . . . 0.0 110.334 177.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . 0.788 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 8.7 t60 -59.96 -49.9 75.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.114 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 843' ' ' ARG . 1.3 ttm180 -65.77 -37.33 86.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.956 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.466 ' O ' HG21 ' A' ' 847' ' ' VAL . 0.2 OUTLIER -63.0 -48.36 79.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.169 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.788 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -62.53 -32.16 73.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.463 . . . . 0.0 109.895 177.567 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . 0.442 ' N ' ' HG2' ' A' ' 845' ' ' LYS . . . -68.26 -49.66 44.46 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.666 177.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 844' ' ' LEU . 20.7 m -64.09 -36.08 75.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.91 0.355 . . . . 0.0 110.899 -178.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -64.21 -43.41 95.09 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.57 77.42 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 850' ' ' MET . . . . . 0.425 ' HE1' ' HA ' ' A' ' 847' ' ' VAL . 4.6 mtm -59.03 -50.4 74.23 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.51 0.672 . . . . 0.0 110.633 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.02 -1.34 56.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.483 -176.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 73.36 26.47 2.04 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.53 0.681 . . . . 0.0 111.033 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.0 mt -86.2 72.59 10.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.256 176.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.684 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 21.9 t -51.39 -54.69 36.01 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.78 -175.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.684 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 46.5 Cg_exo -56.56 -37.75 96.83 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.095 1.863 . . . . 0.0 112.398 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.42 -44.36 84.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.508 178.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . 0.537 ' O ' ' HG2' ' A' ' 861' ' ' GLU . 4.3 tttm -63.52 -39.43 94.41 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -55.04 -44.51 74.73 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.583 177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.36 -44.47 95.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.306 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 77.3 m -66.71 -35.54 80.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.543 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 857' ' ' LYS . 75.9 mm-40 -60.77 -48.07 83.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.394 0.616 . . . . 0.0 110.076 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.4 m -67.43 -32.33 73.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.604 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.697 ' HA ' HD11 ' A' ' 866' ' ' LEU . 0.2 OUTLIER -60.65 -47.79 84.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.204 174.668 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . 0.5 ' HA ' HD13 ' A' ' 867' ' ' ILE . 1.7 mt-10 -58.89 -37.59 76.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 0.0 110.224 176.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . 0.444 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 1.9 t60 -62.19 -39.73 93.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.171 175.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . 0.697 HD11 ' HA ' ' A' ' 863' ' ' LEU . 11.7 mt -67.45 -43.13 81.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.388 178.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.505 HG12 HD22 ' A' ' 837' ' ' LEU . 23.8 mt -64.69 -44.42 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.5 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -61.17 -33.73 73.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.153 -178.599 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 10.9 pt-20 -102.78 12.94 35.56 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.296 -0.561 . . . . 0.0 111.357 -178.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 58.03 38.31 26.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.126 -0.943 . . . . 0.0 112.406 173.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . 0.455 ' HB3' HD21 ' A' ' 866' ' ' LEU . 33.3 t0 -88.1 83.28 7.01 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 173.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.534 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 0.7 OUTLIER -56.82 -54.35 55.12 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.004 -178.071 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.534 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 36.9 Cg_exo -59.1 -34.95 98.87 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.104 1.869 . . . . 0.0 112.395 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.18 -42.13 91.56 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.737 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.653 HG22 HD23 ' A' ' 837' ' ' LEU . 39.6 mt -55.78 -50.32 68.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.139 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -55.53 -48.16 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.002 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -49.1 78.54 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.231 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -69.47 -33.77 73.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.42 -44.37 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.23 177.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -35.39 80.95 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.891 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -71.13 -36.65 72.18 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.985 0.421 . . . . 0.0 111.093 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 80.4 mt -68.93 -34.27 63.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.311 0.577 . . . . 0.0 109.93 174.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . 0.444 ' CG ' ' HZ1' ' A' ' 887' ' ' LYS . 20.3 t70 -70.32 -44.72 67.65 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.516 -176.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.9 p -64.61 -40.04 94.79 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.195 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.07 -55.92 27.05 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.776 0.798 . . . . 0.0 109.998 176.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 1.4 t -61.54 -36.19 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.886 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . 0.444 ' HZ1' ' CG ' ' A' ' 883' ' ' ASP . 0.0 OUTLIER -65.55 -38.55 89.92 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -25.69 61.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.996 0.427 . . . . 0.0 110.402 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.96 -24.06 52.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.774 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 887' ' ' LYS . 28.6 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.186 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . 0.69 ' HA ' HD22 ' A' ' 805' ' ' LEU . 24.7 t30 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.011 0.434 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.29 97.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.201 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -50.58 71.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.69 HD22 ' HA ' ' A' ' 802' ' ' ASN . 0.1 OUTLIER -65.07 -37.22 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.687 -176.206 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.517 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 0.0 OUTLIER -82.55 -16.56 48.13 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.129 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -78.78 -34.44 45.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 110.78 176.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -15.14 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.104 0.478 . . . . 0.0 110.88 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.32 33.91 11.2 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.169 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -106.98 14.3 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 110.483 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.43 ' HD1' ' HA ' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -69.25 -32.2 71.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.28 -178.56 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.21 93.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.552 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.7 tt -67.44 -39.65 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.395 177.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.61 ' HA ' HG22 ' A' ' 818' ' ' VAL . 1.6 t80 -56.6 -38.04 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.82 -177.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 24.5 m -99.36 1.92 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.701 0.286 . . . . 0.0 111.46 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -96.87 -68.48 0.8 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.113 -176.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.29 -24.51 15.64 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -171.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.633 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 52.2 t -64.81 -54.24 36.99 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.633 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 51.7 Cg_exo -54.72 -44.35 50.49 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.17 1.913 . . . . 0.0 112.82 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.72 -26.97 61.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.374 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -75.66 -32.43 60.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 110.253 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . 0.56 ' HA ' HD11 ' A' ' 825' ' ' LEU . 78.9 t -63.76 -41.42 92.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 170.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.2 OUTLIER -61.42 -37.47 83.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.18 174.095 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.641 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 5.0 ttm105 -59.7 -45.2 92.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.123 176.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.712 ' HG ' HG23 ' A' ' 840' ' ' THR . 12.8 mt -55.72 -43.68 76.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.953 0.406 . . . . 0.0 110.316 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.416 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 20.1 m-85 -59.04 -40.91 86.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.43 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 4.7 m -67.41 -46.19 73.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.493 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.1 mm-40 -71.63 -30.03 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.65 -177.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . 0.518 ' HA ' HD13 ' A' ' 837' ' ' LEU . . . -67.45 -38.46 84.53 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.351 176.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.28 -39.39 93.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.354 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 1.4 p -84.68 -7.81 59.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.359 . . . . 0.0 111.117 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.94 31.02 7.34 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.238 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -88.07 78.16 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.255 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.654 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 51.7 m-85 -65.77 -18.32 65.25 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.367 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -71.63 -41.53 68.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.278 0.561 . . . . 0.0 109.583 173.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.13 -35.01 56.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.295 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.654 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 5.7 mt -55.63 -48.82 74.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.091 174.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.93 98.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.988 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.06 -37.52 87.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.373 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.712 HG23 ' HG ' ' A' ' 825' ' ' LEU . 6.1 m -70.97 -40.51 71.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.723 0.297 . . . . 0.0 110.589 177.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.0 -32.83 74.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.995 0.426 . . . . 0.0 110.039 175.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -49.36 78.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.798 175.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 840' ' ' THR . 2.9 ptm85 -68.28 -36.22 79.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.915 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.463 ' HA ' HG21 ' A' ' 847' ' ' VAL . 0.1 OUTLIER -69.07 -39.87 78.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 110.26 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.506 ' HZ3' ' CD ' ' A' ' 864' ' ' GLU . 5.7 ttmt -58.28 -44.37 88.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.734 174.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.02 78.14 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.09 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.517 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 30.8 m -69.2 -34.61 64.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 117.006 0.403 . . . . 0.0 111.361 -177.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.443 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 1.6 m-30 -71.52 -40.47 70.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.54 -38.19 83.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.24 -44.25 88.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.428 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 84.6 mt -72.42 -9.79 58.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.3 m-80 79.99 20.98 0.56 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.855 0.722 . . . . 0.0 110.187 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.05 78.31 8.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.523 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.493 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 1.6 t -53.04 -53.24 57.6 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.776 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 19.4 Cg_endo -58.69 -32.89 97.79 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.26 1.973 . . . . 0.0 112.13 177.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.05 -47.52 64.72 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.641 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -34.65 78.54 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -42.16 91.13 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.684 176.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 855' ' ' PRO . 77.8 mt -62.03 -46.68 88.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.345 176.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.95 -35.78 79.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.0 -48.8 78.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.079 0.466 . . . . 0.0 110.435 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 862' ' ' THR . . . . . 0.423 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 3.6 m -68.78 -30.14 68.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.959 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -48.79 80.2 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 173.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . 0.506 ' CD ' ' HZ3' ' A' ' 845' ' ' LYS . 25.2 mt-10 -58.64 -37.41 75.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.394 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . 0.56 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 1.0 OUTLIER -64.82 -36.68 85.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.356 176.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 4.5 mt -72.64 -36.05 67.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.867 0.365 . . . . 0.0 110.18 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 30.7 mt -65.92 -43.39 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.183 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.56 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -65.95 -29.1 69.45 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.456 177.605 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 8.7 tt0 -83.27 -15.58 49.68 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.083 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.27 33.25 19.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.568 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -87.74 82.64 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 176.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 876' ' ' GLU . 73.1 t -50.08 -55.63 23.22 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.688 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.3 Cg_endo -54.11 -43.3 59.62 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.187 1.925 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.36 -34.02 83.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.32 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 879' ' ' ILE . 66.2 mt -61.78 -56.52 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 0.9 OUTLIER -60.82 -39.82 90.45 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.643 0.258 . . . . 0.0 110.811 -178.058 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -40.35 95.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.864 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.423 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.1 OUTLIER -70.11 -32.88 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.811 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 875' ' ' ILE . 69.3 mt -63.77 -40.72 90.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -31.37 68.45 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.442 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -69.81 -40.52 75.87 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.219 0.533 . . . . 0.0 110.346 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 81.1 mt -66.41 -33.64 64.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.83 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 8.7 t70 -73.67 -43.31 59.76 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.825 -177.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 884' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 4.0 p -63.86 -31.36 72.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.005 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -51.06 70.46 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.56 0.695 . . . . 0.0 109.46 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.486 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.5 OUTLIER -64.7 -31.79 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.345 178.532 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 34.0 mmtm -58.19 -45.41 87.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.809 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -21.13 37.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.568 -176.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 802' ' ' ASN . 0.1 OUTLIER -87.75 -22.03 24.8 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 6.5 mt . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.694 -0.67 . . . . 0.0 110.879 177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.726 0.298 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.1 77.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -65.22 -34.81 79.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.505 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.65 -34.18 77.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.208 0.528 . . . . 0.0 110.326 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 4.9 t-160 -72.01 -43.77 64.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 175.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.46 79.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.986 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -18.17 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.065 0.46 . . . . 0.0 111.015 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 86.15 -5.1 85.09 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.351 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -81.61 -0.6 43.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.027 0.441 . . . . 0.0 110.38 -178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.527 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.3 t80 -52.63 -41.69 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.422 174.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.13 90.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.158 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -43.66 84.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.211 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -55.32 -51.52 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.394 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 32.1 m -81.15 -10.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.76 0.314 . . . . 0.0 111.81 -176.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -78.56 -63.4 1.41 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.668 0.27 . . . . 0.0 111.136 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.44 -49.63 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -172.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.702 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 49.0 t -52.2 -59.2 8.95 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -168.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.702 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.1 Cg_exo -57.37 -47.29 22.73 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.001 1.8 . . . . 0.0 112.727 -176.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.496 ' HA ' ' HE3' ' A' ' 823' ' ' LYS . 0.7 OUTLIER -71.66 -29.76 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.775 -177.529 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -31.47 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.253 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 42.0 t -63.48 -43.76 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 173.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 820' ' ' ASP . 15.9 mtmt -59.76 -41.47 91.11 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.181 174.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 6.8 tpt180 -63.01 -44.93 94.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.294 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.523 HD22 ' HB ' ' A' ' 840' ' ' THR . 3.3 mt -56.26 -45.73 79.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.497 176.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.426 ' CE2' HG23 ' A' ' 879' ' ' ILE . 0.2 OUTLIER -58.41 -37.39 75.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.101 0.477 . . . . 0.0 110.618 176.607 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 39.7 m -67.02 -45.56 77.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.851 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 9.0 mm-40 -72.87 -27.74 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.664 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.29 -35.74 80.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.135 175.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.09 73.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.989 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -5.65 58.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.172 178.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 64.27 30.19 13.54 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.586 0.707 . . . . 0.0 110.23 -177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -84.34 74.54 10.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.963 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -59.08 -29.81 67.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.807 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.34 94.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.034 0.445 . . . . 0.0 110.216 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.7 -36.89 59.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.589 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -50.0 73.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.058 174.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.44 95.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.25 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -60.33 -47.67 85.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.075 0.464 . . . . 0.0 111.22 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.523 ' HB ' HD22 ' A' ' 825' ' ' LEU . 2.2 m -68.69 -39.52 80.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.34 86.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.381 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . 0.592 ' O ' ' HG2' ' A' ' 845' ' ' LYS . 0.1 OUTLIER -56.92 -49.85 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.382 174.833 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 843' ' ' ARG . 5.2 ttm180 -63.7 -40.71 97.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.188 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.566 ' O ' HG21 ' A' ' 847' ' ' VAL . 2.6 mt -69.94 -41.05 75.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.216 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' ' 842' ' ' HIS . 15.9 ptmt -64.23 -32.79 74.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.126 177.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.19 -46.47 64.7 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.497 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.566 HG21 ' O ' ' A' ' 844' ' ' LEU . 15.5 m -69.18 -36.66 74.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 117.005 0.402 . . . . 0.0 111.739 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -72.12 -39.89 68.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 0.0 110.098 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.66 84.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.289 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.5 ttm -64.91 -40.31 94.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.164 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 44.0 mt -78.73 -9.82 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.759 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 76.91 6.74 3.22 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.663 0.744 . . . . 0.0 110.683 173.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.09 93.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.589 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.486 ' HB ' ' CD ' ' A' ' 855' ' ' PRO . 16.4 t -56.1 -60.17 9.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.42 -174.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.535 ' HG2' ' OH ' ' A' ' 885' ' ' TYR . 10.5 Cg_endo -55.84 -42.16 69.95 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.174 1.916 . . . . 0.0 112.517 -178.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 859' ' ' LEU . . . -64.04 -46.35 91.5 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.226 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . 0.717 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 0.0 OUTLIER -67.6 -37.69 82.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.446 -179.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -36.07 78.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.294 174.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 856' ' ' GLY . 19.6 mt -62.19 -49.45 75.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.744 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . 0.717 ' SG ' ' HA ' ' A' ' 857' ' ' LYS . 0.1 OUTLIER -70.88 -34.89 72.05 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.394 -177.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.96 -45.85 87.26 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.091 0.472 . . . . 0.0 110.432 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 25.0 m -65.22 -37.13 86.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.167 176.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.674 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.8 OUTLIER -60.31 -43.35 96.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.414 176.453 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.27 -45.74 83.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.174 0.511 . . . . 0.0 110.432 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . 0.571 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 17.8 t60 -64.74 -33.63 76.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.443 177.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . 0.578 HD23 ' HA3' ' A' ' 874' ' ' GLY . 26.1 mt -68.92 -40.04 79.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.836 0.35 . . . . 0.0 110.383 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.462 ' HA ' HD12 ' A' ' 875' ' ' ILE . 36.3 mt -67.07 -44.81 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 177.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -62.0 -34.89 77.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.321 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 5.1 mm-40 -90.26 -0.5 57.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.73 -177.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.1 42.98 30.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.027 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -91.53 80.05 5.45 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.503 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 1.9 t -53.3 -50.13 84.27 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.803 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 12.5 Cg_endo -56.89 -43.27 55.94 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.102 1.868 . . . . 0.0 112.419 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . 0.578 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -63.81 -43.99 96.86 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.879 -0.676 . . . . 0.0 111.863 177.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 867' ' ' ILE . 62.3 mt -55.72 -50.63 66.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.649 0.262 . . . . 0.0 110.411 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -53.88 -49.65 68.05 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.988 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -40.38 96.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.123 -177.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.674 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 3.1 m-85 -75.99 -32.15 59.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.414 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 875' ' ' ILE . 17.0 mm -60.18 -49.59 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.31 -28.78 66.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.675 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . 0.4 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -69.21 -34.87 75.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.853 0.358 . . . . 0.0 110.657 177.644 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 10.4 mt -71.06 -33.56 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 173.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.87 -45.62 67.28 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 6.5 p -66.22 -32.63 74.18 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.246 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . 0.535 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 24.7 t80 -57.39 -58.22 9.21 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 122.462 1.125 . . . . 0.0 109.715 175.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.625 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 2.0 t -65.75 -35.98 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.967 -1.924 . . . . 0.0 110.275 -176.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -56.36 -45.7 80.35 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.965 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.3 m -83.25 -15.48 50.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.238 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' A' ' 889' ' ' LEU . 0.4 OUTLIER -76.24 -33.49 59.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 178.167 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.321 175.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . 0.48 ' HA ' HD21 ' A' ' 805' ' ' LEU . 32.1 t30 . . . . . 0 CA--C 1.524 -0.03 0 CA-C-O 120.491 0.186 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.5 91.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -67.5 -45.24 76.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.858 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.717 HD22 ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -69.59 -26.52 64.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.582 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.43 -46.45 63.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.836 174.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.12 82.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.95 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -12.0 60.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 76.87 17.68 79.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.939 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . 0.763 ' HB3' HD21 ' A' ' 851' ' ' LEU . 10.0 m-30 -94.03 -6.71 44.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.941 0.4 . . . . 0.0 110.469 -177.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.717 ' HD1' HD22 ' A' ' 805' ' ' LEU . 91.2 t80 -59.31 -36.17 75.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.482 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.16 -37.23 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.2 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.4 mt -78.22 -34.62 49.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.288 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.461 ' O ' ' HD3' ' A' ' 819' ' ' PRO . 53.4 t80 -57.83 -53.46 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.44 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 9.1 m -79.04 -9.12 12.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.501 -177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -85.24 -70.66 0.57 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.999 0.428 . . . . 0.0 111.439 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 817' ' ' THR . . . . . 0.503 HG21 ' N ' ' A' ' 818' ' ' VAL . 3.4 t -89.53 -32.11 17.32 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -171.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.629 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 63.4 t -62.65 -55.03 42.57 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.629 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.1 Cg_exo -61.07 -38.86 64.45 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.584 1.523 . . . . 0.0 111.812 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.27 -29.04 63.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.446 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . 0.962 ' HB3' HD13 ' A' ' 844' ' ' LEU . 0.3 OUTLIER -68.02 -37.2 81.1 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.537 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.66 -41.37 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.91 173.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -59.74 -39.96 86.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.234 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.663 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -61.01 -45.74 93.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.177 176.73 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.745 HD13 HD12 ' A' ' 844' ' ' LEU . 30.3 mt -52.48 -46.47 66.57 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.533 176.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -36.18 82.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.768 178.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 19.0 m -66.15 -45.55 80.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.7 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.724 ' HB2' HD12 ' A' ' 837' ' ' LEU . 7.2 mm-40 -67.57 -34.58 77.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.48 98.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.793 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -68.14 -29.21 68.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.164 0.506 . . . . 0.0 110.641 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 6.7 m -83.53 -12.0 56.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.807 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.4 25.55 15.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.625 0.726 . . . . 0.0 109.896 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -91.74 78.04 5.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.337 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.736 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 24.8 m-85 -62.6 -22.69 66.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.727 -178.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.68 -40.15 92.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.282 0.563 . . . . 0.0 109.708 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -76.16 -32.12 58.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.008 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.736 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.0 OUTLIER -55.6 -49.96 71.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.812 173.449 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.82 99.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.227 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -60.28 -44.74 95.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.993 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.667 HG23 ' HG ' ' A' ' 825' ' ' LEU . 6.0 m -66.92 -44.19 81.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.925 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . 0.613 ' HB2' ' HG3' ' A' ' 864' ' ' GLU . . . -64.2 -33.57 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.971 0.415 . . . . 0.0 110.728 178.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -47.8 84.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.143 175.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.511 ' HD2' ' OD1' ' A' ' 821' ' ' ASP . 32.5 ttm105 -62.13 -44.46 96.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.392 178.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.962 HD13 ' HB3' ' A' ' 821' ' ' ASP . 0.1 OUTLIER -64.82 -38.11 89.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.035 -178.22 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.646 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 8.5 ttmt -62.25 -43.81 97.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.853 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.25 -47.98 61.18 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.612 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.669 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 27.6 m -66.06 -36.53 77.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-N 116.872 0.336 . . . . 0.0 111.279 -177.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.416 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 0.2 OUTLIER -67.33 -40.97 85.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.732 0.301 . . . . 0.0 110.365 179.339 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.9 86.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.221 175.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -36.84 78.21 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.818 177.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.763 HD21 ' HB3' ' A' ' 810' ' ' TYR . 70.4 mt -74.44 -11.76 60.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.412 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 79.11 14.96 1.06 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.642 176.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.7 83.31 8.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.8 177.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.431 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 12.1 t -53.46 -56.85 20.42 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.296 -176.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 12.9 Cg_endo -56.83 -32.9 93.33 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.13 1.886 . . . . 0.0 112.216 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.51 -45.39 78.2 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.696 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -36.27 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -63.35 -39.08 93.57 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.635 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.24 -49.18 78.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.486 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 29.7 m -63.44 -34.25 77.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.097 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . 0.646 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 1.2 mm-40 -61.02 -51.81 67.64 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.153 0.502 . . . . 0.0 110.394 177.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 862' ' ' THR . . . . . 0.464 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.7 m -65.13 -36.32 83.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.946 178.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.579 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -58.56 -49.64 76.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.154 176.565 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . 0.613 ' HG3' ' HB2' ' A' ' 841' ' ' ALA . 2.1 mt-10 -58.17 -39.93 80.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.768 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -67.45 -36.12 80.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.614 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 28.4 mt -67.11 -39.88 86.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.933 0.397 . . . . 0.0 110.471 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 29.5 mt -66.04 -42.63 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.405 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.83 -28.5 69.03 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.763 178.73 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.448 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 20.0 mm-40 -85.06 -5.2 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.145 178.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 57.17 38.65 29.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.986 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -89.17 86.66 6.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.506 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.611 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 0.5 OUTLIER -53.37 -58.51 12.42 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.815 -170.771 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.611 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 42.6 Cg_exo -57.35 -36.15 98.88 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.072 1.848 . . . . 0.0 112.046 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -65.72 -40.15 95.63 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.036 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 41.0 mt -62.55 -52.9 54.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.743 0.306 . . . . 0.0 110.474 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 872' ' ' VAL . 8.7 mt-10 -59.23 -43.43 92.35 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.592 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . 0.45 ' HZ2' ' CG ' ' A' ' 881' ' ' ASP . 2.1 tmtt? -59.69 -47.75 84.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.733 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.579 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.2 OUTLIER -69.31 -33.73 73.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.741 -176.328 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 77.6 mt -58.78 -47.15 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 1.5 m -67.84 -28.72 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.967 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . 0.571 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 2.6 m-20 -69.07 -40.89 78.19 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.123 0.487 . . . . 0.0 110.621 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . 0.475 HD13 HD13 ' A' ' 863' ' ' LEU . 88.0 mt -68.91 -33.67 60.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.147 0.499 . . . . 0.0 109.976 175.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . 0.475 ' CG ' ' HZ3' ' A' ' 887' ' ' LYS . 1.9 t70 -69.61 -46.69 65.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.612 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 9.6 p -64.18 -32.95 74.73 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.313 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -55.16 28.29 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.055 0.931 . . . . 0.0 110.091 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.584 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.3 t -61.94 -39.48 83.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.465 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . 0.634 ' HA ' HD13 ' A' ' 890' ' ' LEU . 11.4 mttt -64.55 -33.61 76.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.719 -178.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.3 -27.45 42.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.444 176.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -48.19 80.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.973 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.634 HD13 ' HA ' ' A' ' 887' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.264 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . 0.689 ' HA ' HD21 ' A' ' 805' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.597 0.237 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.87 89.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.901 0.381 . . . . 0.0 110.613 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -45.67 74.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.765 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -63.5 -34.24 77.34 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.105 0.479 . . . . 0.0 110.358 179.346 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -68.29 -42.02 80.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.324 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -66.06 -29.24 69.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.817 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 -2.8 58.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.821 0.343 . . . . 0.0 111.218 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 72.07 32.21 63.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.085 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . 0.449 ' HD1' HD11 ' A' ' 813' ' ' LEU . 13.7 m-85 -96.21 0.66 51.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.679 0.276 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.408 ' CE1' HD22 ' A' ' 805' ' ' LEU . 0.1 OUTLIER -59.95 -42.47 94.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -177.684 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . 0.507 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -60.9 -32.24 71.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.57 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . 0.449 HD11 ' HD1' ' A' ' 810' ' ' TYR . 1.4 mt -83.84 -33.78 24.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.071 0.462 . . . . 0.0 109.885 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -60.78 -46.16 91.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.626 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . 0.774 HG13 HD23 ' A' ' 890' ' ' LEU . 18.7 m -82.81 -6.17 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.709 -178.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 8.0 t70 -90.65 -72.49 0.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.872 0.368 . . . . 0.0 111.386 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 3.8 t -79.57 -31.15 41.86 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -171.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.668 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 94.0 t -63.58 -55.54 33.78 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.982 -173.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.668 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 38.2 Cg_exo -59.51 -35.43 95.82 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.846 1.697 . . . . 0.0 112.203 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 823' ' ' LYS . 5.4 t0 -71.44 -39.81 70.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.343 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.76 -34.82 74.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.451 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.11 -37.87 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 173.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 820' ' ' ASP . 1.4 mtpt -57.06 -55.43 34.87 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.93 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -64.74 -36.08 83.14 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.92 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.584 ' HG ' HG23 ' A' ' 840' ' ' THR . 1.1 mt -55.14 -48.88 73.07 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.14 0.495 . . . . 0.0 110.209 175.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.412 ' HD1' ' HA ' ' A' ' 826' ' ' TYR . 0.0 OUTLIER -65.42 -42.42 92.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.819 178.842 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 29.9 m -65.52 -42.45 92.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.803 -174.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.477 ' HA ' ' OG1' ' A' ' 831' ' ' THR . 5.8 mm-40 -78.61 -25.13 45.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.001 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 837' ' ' LEU . . . -63.15 -35.84 81.63 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 172.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.61 89.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.833 174.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 831' ' ' THR . . . . . 0.477 ' OG1' ' HA ' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -72.17 -9.74 58.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.572 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.3 m 62.31 32.94 16.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.716 0.77 . . . . 0.0 109.692 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.68 73.65 10.39 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.174 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.515 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 62.1 m-85 -59.65 -29.45 68.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.222 -176.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' A' ' 839' ' ' GLN . . . -64.39 -41.31 96.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.241 0.543 . . . . 0.0 109.953 175.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.31 -36.4 54.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 829' ' ' ALA . 1.8 mt -55.64 -49.21 73.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.113 175.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.7 98.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.118 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 835' ' ' ALA . 64.9 mm-40 -61.96 -45.43 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.845 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.584 HG23 ' HG ' ' A' ' 825' ' ' LEU . 2.3 m -70.78 -37.16 73.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.107 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.41 93.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.056 0.455 . . . . 0.0 109.961 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -40.5 97.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.467 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -59.92 -50.38 73.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.562 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 1.6 tp -67.66 -37.53 82.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.714 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.709 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 10.1 ttmt -61.39 -43.44 98.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.168 176.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.29 76.37 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.681 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.509 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 26.1 m -70.97 -30.31 40.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.865 0.333 . . . . 0.0 111.353 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.409 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 2.8 m-30 -70.87 -46.27 62.93 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.15 -25.57 67.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.242 0.544 . . . . 0.0 110.059 174.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -48.84 31.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.446 175.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 13.6 mt -90.83 19.58 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.196 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 58.93 35.44 24.14 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.102 0.961 . . . . 0.0 112.008 170.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.64 67.66 2.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.644 171.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.496 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -56.9 -54.7 51.48 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.674 -171.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.496 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 51.3 Cg_exo -55.73 -39.2 92.49 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.141 1.894 . . . . 0.0 112.341 177.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.64 -42.42 95.45 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.437 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -42.39 99.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -38.12 77.77 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.221 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.97 -43.15 96.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.339 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 845' ' ' LYS . 34.3 m -64.78 -36.44 84.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.299 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . 0.709 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 2.4 mt-10 -64.14 -48.68 75.09 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.21 0.529 . . . . 0.0 110.173 177.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 862' ' ' THR . . . . . 0.679 ' HB ' ' HE2' ' A' ' 878' ' ' TYR . 2.4 m -64.57 -32.97 74.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.609 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 875' ' ' ILE . 0.5 OUTLIER -60.25 -45.91 91.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.125 174.793 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.19 -43.03 78.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.404 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -65.14 -40.78 94.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.951 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.47 -33.78 76.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.16 0.505 . . . . 0.0 110.3 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.414 HG13 HG12 ' A' ' 875' ' ' ILE . 16.1 mt -68.2 -42.44 84.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.437 0.637 . . . . 0.0 109.56 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.68 -33.38 74.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.54 179.198 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 1.8 tp10 -76.94 -12.85 60.01 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.73 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 65.34 43.71 3.42 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.151 -177.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -99.88 87.82 3.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.596 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 3.4 t -58.83 -50.31 88.67 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.137 -175.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 7.3 Cg_endo -51.5 -45.35 38.15 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.28 1.987 . . . . 0.0 112.375 176.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -63.0 -40.35 99.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.293 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.629 ' HA ' HD22 ' A' ' 863' ' ' LEU . 61.7 mt -59.67 -54.69 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.44 0.162 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -65.56 -34.41 78.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.745 0.307 . . . . 0.0 110.842 -177.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 3.7 mtpp -64.92 -43.44 92.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.411 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.679 ' HE2' ' HB ' ' A' ' 862' ' ' THR . 2.4 m-85 -69.65 -34.11 73.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.737 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.9 -43.5 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 3.8 m -67.61 -31.0 70.73 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.801 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 885' ' ' TYR . 3.8 m-20 -73.78 -35.45 64.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.257 0.551 . . . . 0.0 110.448 178.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 11.2 mt -68.46 -33.42 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.702 174.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -47.29 62.25 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.484 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.7 p -62.5 -38.7 90.92 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.812 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 1.2 t80 -62.81 -55.84 22.74 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.212 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.2 t -62.81 -32.26 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.588 -1.187 . . . . 0.0 110.37 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.85 -43.87 86.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.008 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -25.33 37.3 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.49 -178.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -17.19 34.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.774 HD23 HG13 ' A' ' 815' ' ' VAL . 18.0 mt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.515 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--O 1.237 0.428 0 CA-C-O 121.003 0.43 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.37 75.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.858 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -64.84 -38.11 89.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.918 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 806' ' ' HIS . 0.0 OUTLIER -61.88 -43.06 99.61 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -177.443 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.422 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 1.1 p80 -80.94 -21.32 40.53 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.827 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -72.11 -40.48 68.12 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.752 0.311 . . . . 0.0 111.318 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.1 p -78.4 -15.95 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.964 0.411 . . . . 0.0 110.796 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.93 26.02 30.31 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.712 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 8.1 m-30 -92.58 11.97 24.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.068 0.461 . . . . 0.0 110.723 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -40.14 86.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.117 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.43 76.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 -177.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' A' ' 813' ' ' LEU . 47.6 mt -70.16 -33.55 71.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.066 0.46 . . . . 0.0 110.302 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.401 ' CD1' HG22 ' A' ' 818' ' ' VAL . 32.2 t80 -65.48 -52.57 51.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.075 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.5 -25.16 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.835 -175.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . 0.584 ' O ' ' HB ' ' A' ' 817' ' ' THR . 1.3 t0 -100.26 52.35 0.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.637 -177.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 817' ' ' THR . . . . . 0.584 ' HB ' ' O ' ' A' ' 816' ' ' ASP . 3.6 t 173.9 -45.77 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.452 170.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.694 HG13 HG23 ' A' ' 886' ' ' VAL . 95.0 t -65.3 -61.75 5.6 Favored Pre-proline 0 CA--C 1.535 0.384 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -171.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.447 ' CD ' ' HB ' ' A' ' 818' ' ' VAL . 19.3 Cg_endo -60.31 -35.15 92.54 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.783 1.656 . . . . 0.0 112.107 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.25 -38.28 75.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.864 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.54 -29.68 66.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.024 177.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 36.5 t -64.23 -45.57 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.367 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -64.81 -36.19 83.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.159 0.504 . . . . 0.0 109.99 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 2.9 ttm180 -61.32 -47.17 87.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.841 175.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.714 ' HG ' HG23 ' A' ' 840' ' ' THR . 16.5 mt -52.68 -45.9 67.02 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.295 0.372 . . . . 0.0 110.329 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.549 ' CE1' HG23 ' A' ' 879' ' ' ILE . 8.4 m-85 -55.35 -44.17 75.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 110.481 176.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 17.2 m -67.57 -46.26 73.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.162 -176.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 30.9 mm-40 -74.13 -32.49 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -176.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' A' ' 825' ' ' LEU . . . -67.54 -36.67 81.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.729 0.299 . . . . 0.0 110.551 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.22 92.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.211 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 -7.3 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.444 178.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 59.6 m 66.9 36.88 4.18 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.333 0.587 . . . . 0.0 110.705 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -81.46 75.94 8.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.526 0.679 . . . . 0.0 109.279 175.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 64.1 m-85 -62.82 -24.56 67.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.429 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.58 86.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.247 0.546 . . . . 0.0 110.087 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.23 -35.27 55.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.809 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.526 HD21 HG12 ' A' ' 867' ' ' ILE . 1.2 tp -57.04 -43.41 81.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.476 174.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.31 87.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.856 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -59.24 -46.11 89.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.714 HG23 ' HG ' ' A' ' 825' ' ' LEU . 6.2 m -64.97 -44.42 89.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.011 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.53 83.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.546 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -63.17 -43.94 96.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.693 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -42.99 99.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.327 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.467 ' HB3' ' SG ' ' A' ' 860' ' ' CYS . 7.3 mt -66.64 -52.56 43.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.508 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.474 ' HB3' ' HB2' ' A' ' 860' ' ' CYS . 19.6 ptmt -57.84 -40.64 80.57 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -69.97 -47.4 46.79 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.689 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.54 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 3.5 p -69.31 -31.95 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.903 0.352 . . . . 0.0 111.267 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.484 ' HD2' ' HB3' ' A' ' 853' ' ' LEU . 5.3 m-85 -68.24 -44.2 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . 0.73 ' HB3' ' HD2' ' A' ' 857' ' ' LYS . . . -60.92 -33.65 73.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.444 175.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -38.08 68.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.946 178.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 67.5 mt -79.94 -5.77 56.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.656 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 81.02 16.01 0.57 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.853 174.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.484 ' HB3' ' HD2' ' A' ' 848' ' ' PHE . 0.3 OUTLIER -87.57 72.91 9.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.328 175.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.416 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.1 OUTLIER -49.62 -56.38 17.17 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.722 -175.309 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.416 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 50.3 Cg_exo -55.11 -35.53 90.79 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.162 1.908 . . . . 0.0 112.409 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.58 -41.35 94.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.989 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . 0.73 ' HD2' ' HB3' ' A' ' 849' ' ' ALA . 13.6 tttp -61.78 -42.57 99.16 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -61.94 -36.11 80.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.563 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -44.51 96.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.16 176.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . 0.474 ' HB2' ' HB3' ' A' ' 845' ' ' LYS . 13.9 m -70.51 -26.68 63.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.261 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.39 -53.66 48.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.253 0.549 . . . . 0.0 109.888 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 862' ' ' THR . . . . . 0.615 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 58.0 m -64.8 -30.65 71.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.607 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' A' ' 878' ' ' TYR . 0.0 OUTLIER -60.04 -53.33 59.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.818 176.34 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . 0.531 ' HG3' ' N ' ' A' ' 865' ' ' HIS . 0.4 OUTLIER -61.81 -33.55 74.32 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.941 0.4 . . . . 0.0 110.264 179.762 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . 0.531 ' N ' ' HG3' ' A' ' 864' ' ' GLU . 20.9 t60 -66.47 -42.27 87.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.226 176.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 871' ' ' ASP . 22.7 mt -65.6 -41.41 92.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.769 0.318 . . . . 0.0 110.519 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.744 ' HA ' HD12 ' A' ' 875' ' ' ILE . 20.0 mt -62.04 -43.89 98.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 110.175 176.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -28.65 68.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.379 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.75 2.86 56.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.623 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 61.27 29.6 18.75 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.512 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . 0.547 ' HB3' HD21 ' A' ' 866' ' ' LEU . 0.6 OUTLIER -88.95 72.6 8.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.148 -179.247 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.552 ' HA ' HD13 ' A' ' 875' ' ' ILE . 16.2 t -54.26 -48.78 93.47 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.468 -177.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.2 Cg_endo -55.63 -40.38 85.67 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.055 1.837 . . . . 0.0 112.193 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -66.94 -42.5 92.71 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.897 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 867' ' ' ILE . 55.7 mt -57.12 -52.05 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 CA-C-O 120.779 0.323 . . . . 0.0 110.461 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.57 -50.05 68.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.6 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -58.44 -49.12 78.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.296 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.615 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.1 OUTLIER -67.33 -32.4 73.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.302 -176.43 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.549 HG23 ' CE1' ' A' ' 826' ' ' TYR . 69.2 mt -65.12 -40.19 88.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.586 176.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -31.93 72.99 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.056 0.455 . . . . 0.0 110.54 176.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.28 -36.48 74.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.216 0.531 . . . . 0.0 110.136 176.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . 0.431 HD13 HD21 ' A' ' 863' ' ' LEU . 8.0 mt -68.13 -33.65 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.219 0.533 . . . . 0.0 109.876 173.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -45.57 65.83 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.55 -176.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.1 p -62.79 -37.28 86.07 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.75 177.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . 0.421 ' HD1' ' HA ' ' A' ' 885' ' ' TYR . 0.1 OUTLIER -62.48 -58.38 7.8 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.926 178.094 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.694 HG23 HG13 ' A' ' 818' ' ' VAL . 1.4 t -64.2 -34.49 69.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.856 -176.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -56.11 -49.51 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.48 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.3 m -81.39 -13.58 58.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.649 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.71 -35.48 22.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.51 0.195 . . . . 0.0 111.322 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 95.6 mt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.009 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . 0.502 ' HA ' HD21 ' A' ' 805' ' ' LEU . 1.9 t-20 . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.515 0.198 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . 0.47 ' O ' ' HD2' ' A' ' 806' ' ' HIS . . . -60.88 -51.13 70.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.612 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -45.73 93.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.304 -179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -67.23 -39.52 86.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.064 -174.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.552 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 0.1 OUTLIER -81.82 -23.89 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.284 -0.566 . . . . 0.0 111.164 -178.309 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -75.83 -37.31 59.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.646 0.26 . . . . 0.0 110.934 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.4 p -68.41 -24.41 64.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.988 0.423 . . . . 0.0 110.796 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 99.13 16.83 29.07 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.168 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . 0.435 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 1.9 m-30 -95.91 3.59 53.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.921 0.391 . . . . 0.0 110.897 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.552 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 2.7 t80 -61.3 -42.4 98.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.697 176.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . 0.575 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -59.45 -43.24 93.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.992 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -43.0 83.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.183 0.516 . . . . 0.0 110.359 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.448 ' HE1' HG23 ' A' ' 886' ' ' VAL . 1.4 t80 -62.0 -43.78 98.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.327 -177.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . 0.432 HG11 ' CD2' ' A' ' 814' ' ' PHE . 24.8 m -80.26 -22.65 11.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.708 -177.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . 0.575 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 2.8 t0 -84.94 -44.85 12.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.271 0.558 . . . . 0.0 111.608 -176.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 54.5 m -88.22 -56.78 3.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.712 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.678 HG13 HG22 ' A' ' 886' ' ' VAL . 22.1 t -56.99 -57.17 26.36 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -166.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.649 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 44.0 Cg_exo -57.01 -32.33 92.78 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.191 1.927 . . . . 0.0 113.293 -176.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -74.86 -39.62 61.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.077 0.465 . . . . 0.0 109.896 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -37.95 78.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.859 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 819' ' ' PRO . 6.3 m -71.52 -32.16 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.421 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -62.46 -44.94 95.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.079 0.466 . . . . 0.0 109.786 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -60.38 -45.82 92.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.246 175.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.7 mt -55.49 -47.46 76.13 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.739 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -46.87 86.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.323 0.582 . . . . 0.0 111.075 177.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 86.2 m -65.61 -45.1 84.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.472 -174.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -24.24 49.15 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.416 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.6 91.53 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.98 95.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.926 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -11.19 59.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.05 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 65.12 36.27 7.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -81.47 74.27 8.47 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 70.7 m-85 -58.72 -32.18 68.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.231 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.38 94.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.252 0.548 . . . . 0.0 109.772 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.97 58.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.828 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.4 OUTLIER -57.54 -49.83 75.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.242 177.329 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 842' ' ' HIS . . . -62.94 -40.93 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.94 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -64.18 -45.43 88.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.395 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.2 m -67.87 -42.98 80.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.205 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . 0.566 ' HB2' ' HB3' ' A' ' 864' ' ' GLU . . . -64.58 -37.0 86.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 0.0 110.643 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 838' ' ' ALA . 7.4 t60 -60.45 -47.18 87.23 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.199 175.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -42.1 99.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.641 178.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.539 ' HA ' HG13 ' A' ' 847' ' ' VAL . 5.3 mt -64.51 -41.56 96.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.671 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -40.05 92.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.081 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.85 -43.82 81.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.802 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.539 HG13 ' HA ' ' A' ' 844' ' ' LEU . 9.1 p -73.48 -35.99 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.788 0.294 . . . . 0.0 111.405 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.534 ' N ' HG11 ' A' ' 847' ' ' VAL . 6.3 m-85 -67.38 -40.56 85.71 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . 0.5 ' HB3' ' HD2' ' A' ' 857' ' ' LYS . . . -63.35 -33.99 76.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.489 174.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 8.5 tpt -64.35 -45.52 87.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.536 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 11.0 mt -71.86 -12.75 61.43 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.554 177.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.4 m-80 76.93 24.85 0.87 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.327 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.68 86.08 7.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.361 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.724 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 3.3 t -52.01 -57.92 13.22 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.75 -175.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.724 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 32.2 Cg_exo -60.38 -35.23 91.87 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.941 1.761 . . . . 0.0 112.411 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.89 -47.2 76.9 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.539 177.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . 0.5 ' HD2' ' HB3' ' A' ' 849' ' ' ALA . 3.8 tttt -62.52 -39.09 92.42 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -44.18 77.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.674 177.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.88 -48.41 80.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.63 177.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 55.5 m -62.11 -41.51 98.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.014 -178.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.92 -47.35 86.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.178 0.513 . . . . 0.0 110.295 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 862' ' ' THR . . . . . 0.424 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 8.5 m -64.97 -36.06 83.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.796 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.796 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -59.46 -53.66 55.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . 0.749 ' HA ' HD11 ' A' ' 867' ' ' ILE . 7.1 pt-20 -65.09 -32.34 74.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.54 -178.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.21 -43.56 97.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.79 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 862' ' ' THR . 78.0 mt -64.67 -31.46 72.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.401 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.749 HD11 ' HA ' ' A' ' 864' ' ' GLU . 15.8 mt -74.05 -42.29 52.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.338 0.59 . . . . 0.0 109.549 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -61.4 -35.19 76.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.545 177.473 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.496 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 11.7 mm-40 -89.58 2.91 54.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.721 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.89 43.27 30.22 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.083 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -85.94 72.82 10.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.531 ' O ' ' HG3' ' A' ' 876' ' ' GLU . 2.4 t -48.01 -57.03 11.29 Favored Pre-proline 0 N--CA 1.467 0.378 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -173.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 13.0 Cg_endo -56.47 -40.07 87.02 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.065 1.843 . . . . 0.0 112.001 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.55 -35.47 86.57 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.106 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 867' ' ' ILE . 61.5 mt -60.19 -55.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 872' ' ' VAL . 0.0 OUTLIER -59.59 -41.37 90.11 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.377 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -59.3 -48.96 79.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.061 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.796 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.5 OUTLIER -69.76 -33.48 72.48 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.406 -177.702 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.55 -41.17 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 9.6 m -65.43 -32.12 73.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.839 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 885' ' ' TYR . 0.4 OUTLIER -68.58 -38.65 80.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.816 -179.725 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 60.9 mt -70.71 -34.07 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.232 0.539 . . . . 0.0 109.87 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.86 -45.34 64.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.607 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 6.8 p -62.83 -39.78 95.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.042 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . 0.427 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 0.5 OUTLIER -60.74 -57.43 12.7 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.223 1.011 . . . . 0.0 109.889 -179.663 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.678 HG22 HG13 ' A' ' 818' ' ' VAL . 1.6 t -60.26 -36.45 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 CA-C-N 113.515 -1.675 . . . . 0.0 110.717 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -47.7 83.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.442 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.41 69.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 111.148 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.31 -16.24 38.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.074 -177.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 13.4 mt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.189 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -74.48 -38.94 62.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.31 0.576 . . . . 0.0 110.285 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.72 -46.87 83.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.24 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -66.99 -28.96 68.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.472 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.567 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 7.3 t-160 -66.88 -39.66 87.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.541 175.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -81.4 -36.58 29.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.88 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 808' ' ' SER . . . . . 0.431 ' OG ' ' HA ' ' A' ' 805' ' ' LEU . 29.3 p -65.08 -25.88 67.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.064 0.459 . . . . 0.0 111.009 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 98.0 7.52 56.25 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.615 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . 0.622 ' HB3' HD21 ' A' ' 851' ' ' LEU . 4.4 m-30 -84.04 -9.5 58.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 0.0 110.281 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.567 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 19.5 t80 -55.8 -39.48 71.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.903 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.15 -36.58 77.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.195 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 3.5 mt -77.86 -38.74 45.34 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.483 ' HB2' HD12 ' A' ' 805' ' ' LEU . 30.8 t80 -56.86 -49.3 75.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.403 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 22.0 m -78.54 -3.99 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.744 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -97.34 -49.74 4.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.6 p -76.18 -60.57 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.736 -174.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.781 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 21.3 t -58.16 -60.62 9.55 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -170.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.781 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 54.4 Cg_exo -53.11 -48.82 20.05 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.333 2.022 . . . . 0.0 112.969 -177.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.507 ' HA ' ' HD2' ' A' ' 823' ' ' LYS . 32.1 t70 -64.1 -45.49 88.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.991 -178.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . 0.555 ' HA ' ' HB2' ' A' ' 824' ' ' ARG . 3.9 m-20 -72.1 -19.94 61.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.871 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . 0.549 HG23 HG22 ' A' ' 882' ' ' ILE . 3.0 t -68.43 -47.75 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 173.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . 0.507 ' HD2' ' HA ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -63.52 -37.75 88.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.21 0.528 . . . . 0.0 109.709 174.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.69 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 13.5 mtm105 -61.03 -48.94 79.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.724 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.603 ' HG ' HG23 ' A' ' 840' ' ' THR . 7.0 mt -51.34 -47.02 62.85 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.387 0.429 . . . . 0.0 110.574 176.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.463 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 13.6 m-85 -51.97 -45.71 64.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.376 0.608 . . . . 0.0 110.044 174.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 16.3 m -68.55 -46.12 70.34 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.429 -176.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.69 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 0.0 OUTLIER -70.82 -33.97 71.23 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.596 -179.328 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.77 90.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.705 0.288 . . . . 0.0 110.636 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.89 71.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.631 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 23.0 m -84.52 -13.33 52.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.693 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 63.48 31.63 14.79 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.554 0.692 . . . . 0.0 110.403 -178.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -87.43 75.88 9.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.338 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.55 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 44.8 m-85 -63.09 -24.47 67.92 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.87 -177.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.57 97.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.295 0.569 . . . . 0.0 109.632 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -73.7 -37.99 65.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.637 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.55 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 1.2 tp -55.67 -47.51 76.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.533 175.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.97 97.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.007 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -63.2 -43.61 97.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.603 HG23 ' HG ' ' A' ' 825' ' ' LEU . 96.5 m -64.69 -45.71 85.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -59.67 -40.08 86.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.823 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -65.91 -42.89 89.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.725 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -62.75 -45.33 93.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.599 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 844' ' ' LEU . 8.5 mt -69.14 -39.97 78.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.443 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -56.3 -45.15 80.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.304 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.85 -38.08 84.69 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.058 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.569 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 4.8 t -61.99 -51.26 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.625 0.25 . . . . 0.0 110.803 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -59.82 -47.63 84.94 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.89 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 111.384 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -35.72 75.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.681 ' HB2' ' HG ' ' A' ' 853' ' ' LEU . 9.1 mt -81.4 -9.67 59.68 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 79.49 21.65 0.59 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.291 0.995 . . . . 0.0 109.758 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.681 ' HG ' ' HB2' ' A' ' 851' ' ' LEU . 13.8 mt -83.84 70.02 10.33 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.978 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.645 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 46.4 t -53.26 -53.01 60.8 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.838 -174.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.645 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 54.0 Cg_exo -54.33 -37.92 88.79 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.057 1.838 . . . . 0.0 112.313 177.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.26 -44.61 85.42 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.764 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -38.59 89.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -44.25 81.13 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.305 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.778 ' HB3' ' HE1' ' A' ' 878' ' ' TYR . 13.2 mt -60.18 -46.14 90.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.359 176.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 83.2 m -64.0 -30.84 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.323 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -60.64 -50.34 73.91 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -39.21 85.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.981 176.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.769 ' HG ' ' CD2' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -62.13 -49.03 77.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.994 179.518 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.95 -38.79 70.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.384 0.611 . . . . 0.0 110.062 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 37.6 t60 -67.3 -42.27 83.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.667 176.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . 0.605 HD23 ' HA3' ' A' ' 874' ' ' GLY . 19.9 mt -62.36 -36.03 80.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.744 0.307 . . . . 0.0 110.662 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 17.7 mt -72.09 -38.31 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.312 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.583 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.79 -28.32 67.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.73 178.6 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.583 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 1.5 mm-40 -98.0 -0.82 43.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.63 -178.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? 54.72 46.68 24.13 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.28 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . 0.426 ' HB3' HD21 ' A' ' 866' ' ' LEU . 12.6 t0 -92.32 83.8 5.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.775 178.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.751 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 21.8 t -51.5 -56.37 21.31 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.479 -176.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.751 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.1 Cg_exo -54.85 -41.83 74.61 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.46 2.107 . . . . 0.0 112.377 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . 0.605 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -62.41 -39.58 97.96 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.077 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.594 ' O ' HG13 ' A' ' 879' ' ' ILE . 61.6 mt -66.17 -53.53 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.385 0.136 . . . . 0.0 111.221 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . 0.641 ' HA ' HD13 ' A' ' 879' ' ' ILE . 1.5 pt-20 -63.11 -42.22 99.52 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.752 0.311 . . . . 0.0 110.986 -176.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -40.25 84.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.807 176.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.778 ' HE1' ' HB3' ' A' ' 859' ' ' LEU . 51.1 t80 -60.54 -43.9 96.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.969 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.641 HD13 ' HA ' ' A' ' 876' ' ' GLU . 6.8 mt -61.15 -41.06 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.903 -178.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -35.4 80.59 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.579 176.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.95 -33.12 51.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.717 -176.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . 0.549 HG22 HG23 ' A' ' 822' ' ' VAL . 12.6 tt -74.81 -31.39 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.814 0.34 . . . . 0.0 110.208 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.56 -44.52 74.29 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.1 p -66.94 -35.39 79.88 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.719 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . 0.415 ' OH ' ' HB2' ' A' ' 855' ' ' PRO . 24.0 t80 -57.52 -58.57 7.72 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.041 0.924 . . . . 0.0 110.731 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.586 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 7.3 p -67.81 -31.29 51.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 114.11 -1.405 . . . . 0.0 110.765 -174.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . 0.512 ' HA ' HD11 ' A' ' 890' ' ' LEU . 12.5 mtmt -72.05 -28.85 63.62 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.2 p -84.36 -25.17 29.35 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.328 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.3 -25.43 42.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.058 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 47.7 mt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.299 -0.857 . . . . 0.0 110.925 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -71.5 -51.4 23.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.186 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -67.26 -37.7 83.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.67 0.271 . . . . 0.0 110.625 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.491 HD22 ' CD2' ' A' ' 811' ' ' TYR . 1.6 tp -63.06 -38.59 91.78 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.083 0.468 . . . . 0.0 109.97 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.591 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 3.0 t-160 -68.43 -53.51 23.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.731 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.06 95.78 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 21.5 m -75.84 3.52 9.85 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.521 -178.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 79.63 -6.68 57.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.119 -0.563 . . . . 0.0 113.766 172.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.53 1.17 23.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.29 0.566 . . . . 0.0 110.923 -177.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.591 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 8.8 t80 -59.96 -27.34 66.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.687 170.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.88 80.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.521 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -33.84 71.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.468 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.413 ' HE2' ' HB3' ' A' ' 889' ' ' LEU . 2.2 t80 -58.57 -43.85 89.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.819 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 7.0 m -98.0 12.6 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.046 0.451 . . . . 0.0 111.023 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -90.47 -61.69 1.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.939 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 817' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 821' ' ' ASP . 0.3 OUTLIER -112.57 -30.87 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.399 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.767 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 80.8 t -53.11 -58.82 10.86 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -172.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.767 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 17.1 Cg_exo -67.4 -41.84 8.33 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 121.898 1.732 . . . . 0.0 112.251 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.12 -43.03 93.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.101 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . 0.449 ' HA ' ' HB2' ' A' ' 824' ' ' ARG . 1.6 m-20 -76.83 -28.08 55.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.2 t -65.12 -38.19 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 173.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -67.68 -36.04 79.94 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.705 174.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.449 ' HB2' ' HA ' ' A' ' 821' ' ' ASP . 26.8 mtm-85 -61.12 -45.93 92.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.988 175.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.555 HD22 ' HG ' ' A' ' 837' ' ' LEU . 0.5 OUTLIER -54.2 -44.97 72.06 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.279 175.739 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -62.3 -40.51 96.52 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.1 m -68.38 -41.24 80.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.271 0.558 . . . . 0.0 110.259 -175.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -79.69 -24.67 41.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.217 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.45 75.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.917 0.389 . . . . 0.0 110.038 174.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.25 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.311 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -18.49 48.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.114 177.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 11.1 m 67.91 31.72 5.53 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.917 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -83.72 74.73 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.229 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.751 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 28.3 m-85 -69.25 -15.18 63.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.474 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -69.6 -43.4 72.86 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -71.96 -36.5 69.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.528 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.751 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.3 OUTLIER -57.66 -46.16 84.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.475 175.526 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.3 95.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.798 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.01 -45.27 93.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 111.165 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.2 m -64.93 -42.48 94.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.948 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.18 -31.76 73.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.613 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -61.8 -46.3 90.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.054 175.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -63.42 -42.18 98.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.402 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -44.19 94.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.75 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -39.23 80.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -65.36 -46.98 84.06 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.766 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.458 ' O ' ' HB3' ' A' ' 850' ' ' MET . 8.4 m -70.81 -37.42 68.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.878 0.339 . . . . 0.0 111.571 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.33 -40.4 81.64 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -67.1 -32.48 73.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.282 174.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 850' ' ' MET . . . . . 0.458 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 6.7 ttt -56.35 -51.01 69.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.796 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -7.79 58.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.65 178.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.26 37.08 11.37 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.054 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.67 82.69 3.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.274 176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.77 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 2.4 t -44.33 -61.71 1.94 Allowed Pre-proline 0 N--CA 1.469 0.51 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -170.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.77 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 47.8 Cg_exo -56.36 -39.73 89.35 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.811 1.674 . . . . 0.0 112.282 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -71.73 -40.1 59.0 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.203 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -32.94 73.32 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -68.48 -38.6 81.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.029 175.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.46 -42.85 97.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.185 175.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 58.8 m -67.32 -39.25 85.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -55.33 -53.43 56.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.416 0.627 . . . . 0.0 110.023 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -31.04 71.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.128 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -52.02 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.6 0.238 . . . . 0.0 110.446 177.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.65 -35.7 76.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.054 0.454 . . . . 0.0 110.362 178.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . 0.498 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 12.5 t60 -67.59 -36.1 80.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.848 176.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 871' ' ' ASP . 12.9 mt -75.26 -33.35 61.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.646 0.26 . . . . 0.0 110.538 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 71.3 mt -71.17 -37.52 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.077 0.465 . . . . 0.0 110.067 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.51 ' HE ' ' HB2' ' A' ' 868' ' ' ARG . 0.0 OUTLIER -67.63 -35.65 79.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.281 178.077 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.487 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 9.5 mm-40 -85.79 -3.51 58.92 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt 54.89 55.11 8.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.017 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . 0.541 ' HB3' HD21 ' A' ' 866' ' ' LEU . 21.0 t0 -113.1 89.11 3.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.227 179.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.625 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 26.4 t -55.08 -52.68 69.12 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -175.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.625 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 77.7 Cg_exo -52.1 -43.74 50.72 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.219 1.946 . . . . 0.0 112.61 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . 0.417 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -65.93 -44.99 90.72 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.68 -0.772 . . . . 0.0 111.601 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.529 ' O ' HG13 ' A' ' 879' ' ' ILE . 60.3 mt -57.48 -49.93 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 110.454 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.51 -54.25 43.52 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.059 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . 0.416 ' HZ3' ' CG ' ' A' ' 881' ' ' ASP . 0.0 OUTLIER -58.83 -41.3 86.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.201 -177.721 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -73.35 -32.83 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.736 -175.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 875' ' ' ILE . 75.2 mt -64.29 -39.86 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.798 174.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -29.28 66.78 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.418 177.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . 0.416 ' CG ' ' HZ3' ' A' ' 877' ' ' LYS . 2.2 m-20 -70.65 -35.96 73.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.536 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.51 -33.49 57.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.171 0.51 . . . . 0.0 110.017 173.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.77 -42.06 67.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.613 0.72 . . . . 0.0 109.508 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.9 p -70.26 -29.95 66.86 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.984 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -59.28 -57.55 12.54 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.913 0.863 . . . . 0.0 110.316 176.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.444 HG11 ' N ' ' A' ' 887' ' ' LYS . 4.2 p -64.69 -31.35 53.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.669 -177.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . 0.444 ' N ' HG11 ' A' ' 886' ' ' VAL . 0.0 OUTLIER -73.5 -26.97 61.12 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.642 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 2.5 p -89.73 -24.06 21.64 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . 0.413 ' HB3' ' HE2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -83.06 -21.5 33.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.351 177.079 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.505 ' HA ' ' OH ' ' A' ' 811' ' ' TYR . 14.6 mt . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.134 171.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . 0.671 ' HA ' HD21 ' A' ' 805' ' ' LEU . 12.8 t30 . . . . . 0 N--CA 1.465 0.29 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.2 84.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.729 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . 0.431 HE21 ' HB3' ' A' ' 804' ' ' GLN . 0.2 OUTLIER -64.27 -46.62 82.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.374 178.111 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.671 HD21 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -65.94 -31.15 71.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.241 179.676 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.79 -50.71 67.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.428 175.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.22 68.97 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.375 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 51.0 m -67.4 -18.01 64.95 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 85.76 -14.07 53.65 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.931 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.97 25.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.966 0.412 . . . . 0.0 111.406 -176.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -70.34 -32.51 70.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.174 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.93 95.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.171 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . 0.459 ' HA ' HD21 ' A' ' 813' ' ' LEU . 0.8 OUTLIER -65.75 -41.89 91.59 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.281 176.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.455 ' CZ ' HD21 ' A' ' 889' ' ' LEU . 25.9 t80 -56.53 -52.91 62.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.3 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . 0.619 HG13 HD23 ' A' ' 890' ' ' LEU . 34.8 m -79.16 -2.29 5.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.757 0.313 . . . . 0.0 111.601 -177.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -95.02 -64.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.274 -177.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 817' ' ' THR . . . . . 0.521 HG21 ' N ' ' A' ' 818' ' ' VAL . 1.0 OUTLIER -88.79 -29.68 19.58 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -171.482 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.629 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 49.7 t -60.06 -54.94 50.36 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.629 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 45.2 Cg_exo -57.94 -40.49 77.53 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.986 1.79 . . . . 0.0 112.489 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -73.31 -43.65 60.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.23 -176.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -32.13 72.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.747 0.308 . . . . 0.0 110.471 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -39.77 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 174.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . 0.474 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.0 OUTLIER -68.34 -35.36 77.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.065 175.849 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -60.8 -46.47 90.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.966 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.486 ' O ' ' HB1' ' A' ' 829' ' ' ALA . 0.8 OUTLIER -54.37 -44.56 72.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.265 175.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.474 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 11.9 m-85 -57.6 -45.33 85.44 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.365 0.602 . . . . 0.0 110.25 175.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 8.0 m -65.28 -45.53 84.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.967 -176.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.407 ' HG2' ' HB2' ' A' ' 836' ' ' ALA . 0.7 OUTLIER -75.23 -32.25 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.253 -176.482 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' A' ' 825' ' ' LEU . . . -65.44 -38.92 91.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 110.648 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.12 -23.08 67.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.797 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.6 2.0 27.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.325 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.3 m 59.5 38.27 22.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.324 0.583 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -85.72 71.31 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.604 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 65.6 m-85 -65.06 -24.11 67.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.039 -175.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.45 94.78 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.198 0.523 . . . . 0.0 109.675 173.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . 0.407 ' HB2' ' HG2' ' A' ' 828' ' ' GLU . . . -74.26 -33.33 63.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.426 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.604 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 1.0 OUTLIER -61.3 -38.83 88.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.411 175.451 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.45 96.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.058 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -62.36 -47.47 84.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.873 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -35.54 78.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.666 0.27 . . . . 0.0 111.217 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.69 96.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.665 0.269 . . . . 0.0 110.483 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.28 -43.93 84.98 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 843' ' ' ARG . 0.0 OUTLIER -54.42 -51.22 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.921 177.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 844' ' ' LEU . 1.3 mt -72.46 -41.58 65.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.035 -176.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -60.78 -40.47 92.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.26 -48.46 58.49 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.86 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 16.8 m -68.34 -38.77 79.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 CA-C-N 117.146 0.473 . . . . 0.0 111.502 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -64.76 -43.03 94.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.911 -0.404 . . . . 0.0 109.911 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.71 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.102 0.477 . . . . 0.0 110.191 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -41.59 99.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.776 177.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 4.9 mt -80.05 -10.15 59.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.801 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 77.13 23.59 0.91 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.029 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.42 84.62 6.63 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.697 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.75 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 18.8 t -55.77 -58.56 15.19 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.818 -174.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.75 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 35.9 Cg_exo -60.19 -39.81 65.38 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.116 1.877 . . . . 0.0 112.03 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . 0.467 ' HA2' HD13 ' A' ' 859' ' ' LEU . . . -64.79 -45.04 93.86 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.148 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' A' ' 854' ' ' VAL . 0.0 OUTLIER -62.69 -35.62 80.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.852 0.358 . . . . 0.0 110.075 177.828 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -37.08 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.554 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.467 HD13 ' HA2' ' A' ' 856' ' ' GLY . 43.7 mt -62.73 -45.91 90.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.104 176.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 20.4 m -64.53 -36.32 83.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.87 -51.47 69.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.194 0.521 . . . . 0.0 110.791 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 862' ' ' THR . . . . . 0.527 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.3 m -68.99 -28.77 66.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.805 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.432 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -62.06 -49.14 77.17 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 173.197 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -43.98 63.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.438 174.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . 0.68 ' O ' ' HG2' ' A' ' 869' ' ' GLU . 20.3 t60 -62.13 -48.18 81.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.034 177.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.02 -28.11 69.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.772 0.32 . . . . 0.0 111.122 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.682 ' HA ' HD12 ' A' ' 875' ' ' ILE . 38.7 mt -76.2 -35.88 29.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -34.28 77.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.314 176.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.68 ' HG2' ' O ' ' A' ' 865' ' ' HIS . 30.9 mm-40 -83.23 -8.29 59.49 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.812 0.339 . . . . 0.0 110.488 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt 61.59 40.48 13.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -96.48 81.32 3.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.966 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.507 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.2 t -49.55 -52.59 48.96 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.616 -177.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 10.9 Cg_endo -54.76 -42.96 63.7 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.348 2.032 . . . . 0.0 112.592 178.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.63 90.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.869 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 867' ' ' ILE . 56.5 mt -56.99 -49.96 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.25 -45.95 79.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.062 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.47 -40.89 92.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.845 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.598 ' HA ' ' HB2' ' A' ' 881' ' ' ASP . 1.5 m-85 -75.68 -32.03 59.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.812 -176.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 875' ' ' ILE . 44.5 mt -61.21 -43.04 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 172.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 51.5 m -67.02 -28.67 68.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.682 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . 0.598 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -69.45 -36.89 77.04 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.278 0.561 . . . . 0.0 110.363 176.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 34.5 mt -69.47 -32.9 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.286 0.565 . . . . 0.0 109.789 173.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . 0.585 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 10.4 t0 -72.15 -42.77 65.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.35 -178.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.0 p -65.4 -38.28 89.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.102 178.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -49.34 -57.74 6.34 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.961 0.886 . . . . 0.0 110.359 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.549 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.4 p -68.56 -30.45 47.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.355 -1.293 . . . . 0.0 111.393 -176.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 7.4 mmtm -56.21 -48.45 76.41 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.561 0.219 . . . . 0.0 110.966 174.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -25.65 48.04 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -178.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . 0.455 HD21 ' CZ ' ' A' ' 814' ' ' PHE . 0.2 OUTLIER -69.28 -46.28 67.61 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.504 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.619 HD23 HG13 ' A' ' 815' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.499 176.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . 0.602 ' HB3' ' HG ' ' A' ' 889' ' ' LEU . 2.7 p-10 . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.905 0.384 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . 0.499 ' O ' ' HB1' ' A' ' 807' ' ' ALA . . . -64.25 -48.76 74.53 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.887 177.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.54 -44.58 95.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.525 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -49.99 75.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.225 -177.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 0.3 OUTLIER -80.37 -15.91 55.74 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.126 -177.298 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 803' ' ' ALA . . . -85.88 -20.14 29.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.61 0.243 . . . . 0.0 111.4 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 2.1 p -88.8 -1.11 57.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.995 0.426 . . . . 0.0 110.52 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 80.97 31.05 36.35 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.265 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -107.45 5.68 27.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 0.0 110.681 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.402 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.5 t80 -66.94 -35.29 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.262 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.92 -31.82 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.177 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.62 -36.16 22.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.858 0.361 . . . . 0.0 110.101 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.485 ' O ' ' HD3' ' A' ' 819' ' ' PRO . 49.5 t80 -53.61 -48.59 69.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.561 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.7 m -99.43 24.76 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.214 0.531 . . . . 0.0 111.762 -176.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -130.03 -65.73 0.81 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.211 0.529 . . . . 0.0 110.841 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.9 m -83.07 -34.2 26.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.057 -174.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.701 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 88.8 t -65.31 -57.13 15.91 Favored Pre-proline 0 CA--C 1.534 0.346 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -173.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.701 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 50.4 Cg_exo -55.24 -38.82 93.42 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.214 1.943 . . . . 0.0 112.989 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -77.84 -36.89 49.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.531 -176.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.99 -31.48 72.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.131 0.491 . . . . 0.0 109.7 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 53.0 t -66.59 -42.0 89.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.939 172.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . 0.533 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 18.0 mtmm -62.18 -37.86 86.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.43 176.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.661 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.3 mtp85 -60.42 -42.99 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.08 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.651 HD22 ' HB ' ' A' ' 840' ' ' THR . 8.6 mt -54.47 -44.58 72.71 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 110.28 174.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.533 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 19.7 m-85 -57.68 -42.88 84.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.343 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 3.8 m -64.32 -45.72 86.67 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.261 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.661 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 20.1 mm-40 -67.06 -38.86 86.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.523 -178.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.0 93.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.26 96.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.019 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.9 4.09 35.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.546 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.67 25.0 14.99 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.135 0.493 . . . . 0.0 111.246 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -88.74 70.13 8.73 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.614 ' HA ' ' HB3' ' A' ' 837' ' ' LEU . 16.1 m-85 -63.03 -23.12 67.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.146 -173.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.7 -46.11 91.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.333 0.587 . . . . 0.0 109.724 174.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -79.82 -32.93 40.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.651 -177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.817 HD23 HG22 ' A' ' 875' ' ' ILE . 11.4 tp -58.81 -46.97 86.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.196 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . 0.596 ' HA ' HD11 ' A' ' 867' ' ' ILE . . . -63.87 -42.41 97.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.696 177.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -61.47 -41.61 97.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.469 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.651 ' HB ' HD22 ' A' ' 825' ' ' LEU . 5.1 m -68.5 -37.59 80.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.696 0.284 . . . . 0.0 110.937 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.88 82.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.932 0.396 . . . . 0.0 110.4 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . 0.521 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 2.9 m170 -59.04 -46.44 88.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.849 175.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -61.31 -44.79 96.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.019 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' ' 844' ' ' LEU . 0.3 OUTLIER -64.27 -44.33 92.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.518 -176.83 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.521 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -63.25 -35.95 82.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.579 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.36 -50.83 41.63 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.579 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.622 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 7.3 m -63.86 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.766 0.283 . . . . 0.0 111.127 -177.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.56 ' HA ' HD13 ' A' ' 851' ' ' LEU . 4.9 m-30 -65.53 -37.58 87.14 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.31 -34.92 77.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.822 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 850' ' ' MET . . . . . 0.502 ' HG3' ' HA ' ' A' ' 847' ' ' VAL . 0.9 OUTLIER -61.1 -52.05 66.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.577 177.145 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -77.92 -5.36 50.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.973 -178.391 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.18 33.32 2.04 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.723 0.773 . . . . 0.0 110.233 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 4.3 mt -79.13 74.64 5.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.79 -1.096 . . . . 0.0 109.266 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.815 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 39.3 t -50.59 -60.57 5.15 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.815 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 33.3 Cg_exo -57.94 -39.82 83.13 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.821 1.68 . . . . 0.0 112.262 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.42 -46.53 69.43 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.574 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -62.21 -37.52 85.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -61.28 -40.93 95.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.79 -42.66 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.021 0.438 . . . . 0.0 110.303 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 21.6 m -66.9 -28.33 68.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.632 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.31 -48.52 67.35 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.261 177.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 862' ' ' THR . . . . . 0.533 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -65.47 -33.69 76.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.427 177.599 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 878' ' ' TYR . 0.5 OUTLIER -62.15 -43.18 99.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 175.213 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -44.67 79.5 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.225 0.536 . . . . 0.0 110.496 176.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . 0.458 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 59.1 t60 -68.18 -29.74 68.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.693 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . 0.546 HD23 ' HA3' ' A' ' 874' ' ' GLY . 4.4 mt -69.74 -35.52 75.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.8 0.333 . . . . 0.0 110.379 177.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.596 HD11 ' HA ' ' A' ' 838' ' ' ALA . 24.8 mt -69.34 -41.37 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.393 176.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.486 ' HE ' ' HB2' ' A' ' 868' ' ' ARG . 0.0 OUTLIER -64.89 -32.66 74.47 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.059 0.457 . . . . 0.0 110.3 177.799 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.3 OUTLIER -81.23 -13.8 58.15 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 176.05 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . 0.445 ' HD2' ' O ' ' A' ' 867' ' ' ILE . 0.1 OUTLIER 58.67 38.16 25.09 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.296 -177.608 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.86 89.24 7.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.009 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.517 ' H ' HG21 ' A' ' 872' ' ' VAL . 2.1 t -53.19 -56.23 26.15 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.899 -172.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 14.7 Cg_endo -56.65 -36.72 98.39 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.396 2.064 . . . . 0.0 112.428 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . 0.546 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -71.88 -40.46 57.61 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.7 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.817 HG22 HD23 ' A' ' 837' ' ' LEU . 55.2 mt -58.75 -56.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.482 0.182 . . . . 0.0 110.515 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 7.9 pt-20 -62.35 -39.66 93.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.942 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -42.62 90.88 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.825 0.345 . . . . 0.0 110.646 178.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.561 ' HB3' HD13 ' A' ' 863' ' ' LEU . 3.7 m-85 -69.01 -32.92 72.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 875' ' ' ILE . 31.1 mt -63.5 -42.17 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.221 176.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -34.7 78.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.422 175.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -34.83 77.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.027 0.441 . . . . 0.0 110.606 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . 0.413 HD13 HD11 ' A' ' 863' ' ' LEU . 57.5 mt -68.63 -33.52 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.289 0.566 . . . . 0.0 110.002 174.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.5 -41.25 66.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.606 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 884' ' ' SER . . . . . 0.44 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 6.4 p -71.14 -30.37 66.4 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.111 177.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 62.3 t80 -57.78 -57.32 13.27 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.486 1.136 . . . . 0.0 109.789 174.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.545 HG23 HG13 ' A' ' 818' ' ' VAL . 1.0 OUTLIER -63.68 -31.8 54.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 113.3 -1.773 . . . . 0.0 110.45 -178.684 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 4.6 mttp -63.04 -43.81 97.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 176.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.24 -23.14 38.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.013 -176.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . 0.602 ' HG ' ' HB3' ' A' ' 802' ' ' ASN . 1.6 mp -77.6 -28.03 51.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.552 177.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.811 175.887 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . 0.937 ' HA ' HD22 ' A' ' 805' ' ' LEU . 41.1 t30 . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 120.744 0.306 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . 0.432 ' O ' ' HB1' ' A' ' 807' ' ' ALA . . . -54.91 -51.47 65.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . 0.541 ' HG3' ' N ' ' A' ' 805' ' ' LEU . 0.0 OUTLIER -64.47 -42.87 95.66 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.116 -177.534 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.937 HD22 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -73.23 -38.65 65.96 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.788 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.548 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 0.0 OUTLIER -82.78 -14.48 54.36 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.789 -178.828 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 803' ' ' ALA . . . -80.95 -37.7 28.99 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 174.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -26.07 63.89 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.037 0.446 . . . . 0.0 110.644 177.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 105.92 7.96 35.08 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.795 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -88.1 8.57 26.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.298 0.571 . . . . 0.0 110.937 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.511 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 27.1 t80 -63.35 -28.95 70.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.168 177.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -59.93 -44.45 94.33 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.638 177.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.98 -35.54 78.53 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.105 0.478 . . . . 0.0 110.33 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.464 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 4.1 t80 -60.91 -37.51 82.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.972 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . 0.574 HG11 HD23 ' A' ' 890' ' ' LEU . 32.9 m -100.51 15.66 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.875 0.369 . . . . 0.0 111.084 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . 0.53 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 0.4 OUTLIER -106.22 -79.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.859 0.361 . . . . 0.0 111.197 -178.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.0 -18.62 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.916 -174.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.649 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 84.9 t -63.0 -53.98 50.51 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -175.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.649 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 48.3 Cg_exo -57.13 -39.53 90.05 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.94 1.76 . . . . 0.0 112.076 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 824' ' ' ARG . 4.2 t70 -69.86 -40.67 75.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.862 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -38.26 90.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.378 . . . . 0.0 110.595 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . 0.505 ' HA ' HD13 ' A' ' 825' ' ' LEU . 87.9 t -62.23 -43.49 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.079 0.466 . . . . 0.0 109.992 174.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . 0.493 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.5 OUTLIER -65.56 -35.01 79.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.701 176.58 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.5 mmp_? -56.9 -47.66 80.02 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.567 ' O ' ' HB1' ' A' ' 829' ' ' ALA . 6.2 mt -53.43 -49.7 66.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.481 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.493 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 19.8 m-85 -55.66 -47.53 76.55 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.394 0.616 . . . . 0.0 110.839 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.0 m -67.16 -42.82 83.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.958 -172.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 8.8 mm-40 -79.2 -29.66 42.97 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.017 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' A' ' 825' ' ' LEU . . . -64.54 -33.28 75.54 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 120.841 0.353 . . . . 0.0 110.396 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.84 87.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.168 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.38 8.86 31.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.65 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.81 36.26 24.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.234 177.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -86.16 71.92 10.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.567 0.699 . . . . 0.0 109.496 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.463 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 77.9 m-85 -63.61 -26.08 68.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.729 -177.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.79 99.94 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.296 0.569 . . . . 0.0 110.037 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -74.23 -35.3 63.85 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.723 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.463 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.6 OUTLIER -58.61 -42.98 89.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.267 175.67 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.4 94.94 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.657 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -59.71 -44.32 93.75 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.648 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.818 ' HA ' ' HD3' ' A' ' 843' ' ' ARG . 3.7 m -66.51 -41.58 88.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.385 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.8 -31.25 72.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.027 0.441 . . . . 0.0 110.467 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . 0.669 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 36.6 m170 -69.55 -40.78 76.63 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.317 176.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.818 ' HD3' ' HA ' ' A' ' 840' ' ' THR . 8.8 mtp180 -57.86 -51.4 69.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.219 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.432 HD21 ' HA ' ' A' ' 844' ' ' LEU . 5.8 mt -62.16 -47.91 82.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.602 -175.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.669 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.1 OUTLIER -61.58 -34.5 75.72 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.438 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -70.77 -49.05 31.26 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.619 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.541 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 20.1 m -66.66 -33.65 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.809 0.305 . . . . 0.0 111.069 -178.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.417 ' CD2' ' HA3' ' A' ' 856' ' ' GLY . 6.3 m-85 -68.17 -43.64 77.74 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.36 -34.54 76.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.017 0.437 . . . . 0.0 110.411 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 9.7 tpt -64.65 -44.4 90.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.795 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 17.9 mt -74.59 -13.45 60.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.596 177.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.0 OUTLIER 80.89 28.52 0.2 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.56 176.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.78 82.52 7.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.634 177.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.425 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 1.2 t -54.03 -57.2 19.05 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.396 -176.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 19.1 Cg_endo -59.05 -34.98 99.13 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.229 1.952 . . . . 0.0 112.01 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . 0.417 ' HA3' ' CD2' ' A' ' 848' ' ' PHE . . . -66.36 -44.05 91.36 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.846 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -40.22 96.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . 0.446 ' HA ' ' OE1' ' A' ' 858' ' ' GLN . 1.1 tp-100 -56.22 -44.53 79.62 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.857 177.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 3.8 mt -61.43 -41.41 97.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.682 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 55.5 m -67.48 -31.31 71.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.26 -46.48 76.92 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.887 0.375 . . . . 0.0 110.126 177.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -36.51 83.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.466 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.637 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -59.84 -46.78 88.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.964 175.534 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.33 -43.97 79.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 110.234 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . 0.423 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 4.2 t-160 -59.55 -40.91 88.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.557 176.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 16.8 mt -71.07 -37.83 72.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.96 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 863' ' ' LEU . 10.5 mm -64.57 -45.24 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.281 0.562 . . . . 0.0 109.848 175.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.538 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.02 -32.39 74.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.132 -177.678 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.538 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 31.5 mm-40 -95.64 -2.68 47.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.745 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp 62.87 40.46 9.6 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.355 175.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -94.02 88.5 5.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.874 0.369 . . . . 0.0 110.207 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.507 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 14.6 t -50.56 -52.48 55.35 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -175.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 9.7 Cg_endo -54.24 -45.51 40.47 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.257 1.972 . . . . 0.0 112.437 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -68.23 -38.8 88.1 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.08 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 867' ' ' ILE . 59.8 mt -56.37 -59.55 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 122.256 0.222 . . . . 0.0 110.813 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.97 -36.39 83.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.904 -177.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -61.51 -48.93 78.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.819 0.342 . . . . 0.0 110.708 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.637 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.6 OUTLIER -73.52 -31.75 63.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.484 -176.802 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 875' ' ' ILE . 93.4 mt -59.77 -44.87 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.1 m -67.41 -28.86 68.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.697 177.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . 0.501 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -69.92 -35.79 74.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.044 0.45 . . . . 0.0 110.569 177.768 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 86.3 mt -70.67 -33.12 51.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.236 0.541 . . . . 0.0 109.82 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.14 -41.31 74.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.568 0.699 . . . . 0.0 109.31 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.3 p -69.96 -30.23 67.54 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.112 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -57.17 11.0 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.983 177.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.662 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 4.9 p -62.87 -33.04 58.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.505 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -56.83 -49.23 76.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.007 0.432 . . . . 0.0 111.148 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.99 -15.99 45.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.559 -176.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . 0.435 ' HB3' ' HE2' ' A' ' 814' ' ' PHE . 0.1 OUTLIER -81.7 -39.32 24.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.903 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 30.3 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.143 -179.045 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . 0.796 ' HA ' HD21 ' A' ' 805' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 120.66 0.267 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.82 67.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.802 0.334 . . . . 0.0 110.542 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -63.33 -48.23 78.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.372 176.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -68.53 -23.79 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.304 0.573 . . . . 0.0 110.587 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.608 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 8.4 t-160 -73.78 -40.63 63.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.281 174.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.46 78.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.276 -178.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -19.74 61.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.134 0.492 . . . . 0.0 110.447 176.071 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 91.99 7.56 64.13 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.381 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . 0.474 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.4 OUTLIER -91.24 -3.43 56.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.791 0.329 . . . . 0.0 111.277 -175.519 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.608 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 1.1 t80 -63.01 -30.58 71.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.42 . . . . 0.0 110.22 176.199 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -66.57 -25.89 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.728 177.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.53 -38.26 24.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.736 176.575 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -57.87 -49.28 77.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.974 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 29.1 m -80.38 -0.06 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 0.0 111.424 -178.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . 0.523 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 11.0 t0 -96.24 -64.27 1.07 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.411 -176.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.96 -32.01 15.41 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -173.155 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.695 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 90.7 t -59.93 -54.86 51.32 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.719 -173.777 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.695 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.5 Cg_exo -58.75 -32.01 96.17 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.129 1.886 . . . . 0.0 112.626 176.382 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -74.55 -44.64 50.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 110.524 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . 0.47 ' HB3' HD13 ' A' ' 844' ' ' LEU . 3.1 m-20 -64.76 -35.32 80.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.766 177.182 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.04 -43.32 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.093 174.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -37.8 86.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.85 175.529 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.679 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -60.36 -48.14 83.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.968 174.401 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.574 HD13 HD12 ' A' ' 844' ' ' LEU . 13.8 mt -53.4 -45.46 69.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 177.546 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -56.54 -42.81 79.13 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.468 175.648 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 25.4 m -71.65 -46.56 58.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.551 -175.064 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.679 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 4.3 mm-40 -68.5 -31.83 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.709 0.29 . . . . 0.0 110.358 -179.153 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.6 85.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.246 175.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.3 69.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 179.075 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 831' ' ' THR . . . . . 0.456 ' C ' ' HG ' ' A' ' 832' ' ' SER . 2.2 m -85.33 -9.11 58.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.046 179.079 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 832' ' ' SER . . . . . 0.456 ' HG ' ' C ' ' A' ' 831' ' ' THR . 0.8 OUTLIER 62.15 32.17 17.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.615 0.722 . . . . 0.0 110.141 -178.63 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.565 ' HB3' ' HB1' ' A' ' 836' ' ' ALA . 1.0 OUTLIER -95.47 77.89 3.38 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.388 178.133 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.437 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 46.6 m-85 -58.84 -29.8 67.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.839 -178.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.28 93.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.109 0.48 . . . . 0.0 109.827 175.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 833' ' ' ASP . . . -75.27 -35.38 61.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.72 179.442 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.637 HD22 HG22 ' A' ' 875' ' ' ILE . 1.5 tp -57.86 -49.08 77.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.301 174.371 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.69 86.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.825 178.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -63.94 -45.81 87.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.892 177.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.531 HG23 ' HG ' ' A' ' 825' ' ' LEU . 2.4 m -69.78 -33.46 72.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.78 0.324 . . . . 0.0 110.964 179.409 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.64 97.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.039 0.447 . . . . 0.0 110.047 174.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -63.65 -32.99 74.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.158 175.39 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -49.97 69.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.192 177.492 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.574 HD12 HD13 ' A' ' 825' ' ' LEU . 0.1 OUTLIER -66.91 -40.99 87.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.314 -178.814 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -57.31 -44.06 83.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.097 175.119 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.33 69.23 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.507 -0.77 . . . . 0.0 113.298 -178.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.463 HG21 ' O ' ' A' ' 844' ' ' LEU . 24.3 m -70.16 -39.1 76.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 117.313 0.556 . . . . 0.0 111.15 -178.015 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -69.28 -39.37 78.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.98 -31.66 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.598 175.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -66.27 -45.64 79.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.363 176.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.03 -9.39 58.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 178.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 77.43 24.49 0.8 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.94 176.808 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 6.6 mt -83.49 85.65 7.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.548 176.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.478 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 17.2 t -58.97 -54.99 51.02 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.653 -175.504 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 12.0 Cg_endo -55.33 -38.71 93.6 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.454 2.103 . . . . 0.0 112.275 178.249 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.49 -47.49 69.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.604 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . 0.516 ' O ' ' HG2' ' A' ' 861' ' ' GLU . 1.7 tttp -61.86 -38.88 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 177.06 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . 0.448 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 37.6 mt-30 -62.36 -37.63 86.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.177 178.41 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.481 HD21 ' CE2' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -60.87 -42.24 97.5 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.65 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 14.6 m -68.0 -29.83 68.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.157 177.423 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 857' ' ' LYS . 22.6 mm-40 -62.15 -51.6 67.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 110.18 175.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 862' ' ' THR . . . . . 0.633 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.5 m -64.56 -34.08 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.77 178.527 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.48 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -61.74 -48.65 79.77 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.158 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.03 -42.02 79.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.072 0.463 . . . . 0.0 110.14 175.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . 0.713 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 2.7 t-160 -61.98 -39.51 92.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.929 177.381 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . 0.522 HD23 ' HA3' ' A' ' 874' ' ' GLY . 20.3 mt -68.61 -41.54 79.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 179.113 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.606 ' HA ' HD12 ' A' ' 875' ' ' ILE . 22.8 mt -67.65 -42.2 86.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.82 177.844 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.713 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -64.48 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.233 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 6.7 mm-40 -89.56 -4.29 57.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 110.308 179.373 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp 60.14 40.07 18.74 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.341 179.32 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -93.53 83.09 4.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.863 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.478 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 0.2 OUTLIER -48.53 -54.85 22.7 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -175.723 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 12.3 Cg_endo -55.95 -41.61 75.3 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.399 2.066 . . . . 0.0 112.602 -179.225 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . 0.522 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -67.44 -37.14 89.9 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.98 178.474 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.637 HG22 HD22 ' A' ' 837' ' ' LEU . 69.7 mt -59.13 -56.81 14.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.361 0.124 . . . . 0.0 110.731 179.246 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 5.1 pt-20 -66.63 -32.15 73.29 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.916 -177.642 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . 0.457 ' HZ3' ' CG ' ' A' ' 881' ' ' ASP . 4.6 tptp -58.85 -48.87 79.84 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.031 0.443 . . . . 0.0 109.99 175.54 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.633 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.2 OUTLIER -67.31 -31.88 72.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.965 179.577 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.558 HG12 ' O ' ' A' ' 875' ' ' ILE . 42.5 mm -54.78 -49.13 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.585 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -32.89 74.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.268 178.317 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . 0.457 ' CG ' ' HZ3' ' A' ' 877' ' ' LYS . 75.3 m-20 -72.06 -36.86 69.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.065 0.459 . . . . 0.0 110.938 -179.304 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . 0.495 HD12 HG22 ' A' ' 882' ' ' ILE . 10.1 mt -70.44 -32.81 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 173.755 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 8.7 t70 -71.57 -37.99 71.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.377 -177.782 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.7 p -73.29 -29.71 62.91 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.176 176.391 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.67 -56.62 12.6 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 122.193 0.997 . . . . 0.0 110.045 176.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.534 HG23 HG13 ' A' ' 818' ' ' VAL . 2.5 t -59.53 -32.75 49.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.713 177.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 11.0 tttt -60.64 -41.38 94.8 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.48 175.491 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -23.83 48.02 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.812 0.339 . . . . 0.0 111.06 -179.531 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 4.6 mt -78.88 -27.52 44.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.33 178.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 890' ' ' LEU . 51.3 mt . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.398 177.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.527 0.203 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.78 85.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.913 0.387 . . . . 0.0 110.493 -179.118 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -65.27 -46.34 80.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.635 178.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.677 HD13 ' HA ' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -66.0 -30.24 70.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.219 0.533 . . . . 0.0 110.537 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -72.72 -44.06 62.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.64 177.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -68.78 -30.21 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.906 -176.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.6 p -76.97 -13.16 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.959 -179.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 82.38 -0.38 89.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.29 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . 0.446 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.7 OUTLIER -84.78 4.76 31.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.963 0.411 . . . . 0.0 110.906 -177.48 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.677 ' HA ' HD13 ' A' ' 805' ' ' LEU . 46.4 t80 -57.85 -31.9 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.457 176.366 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.68 91.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.104 178.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . 0.427 HD21 HG23 ' A' ' 817' ' ' THR . 8.1 mt -64.29 -34.56 78.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.641 -178.338 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.459 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 3.4 t80 -60.63 -42.7 97.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.856 -176.418 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . 0.504 ' H ' HG21 ' A' ' 815' ' ' VAL . 0.0 OUTLIER -103.2 13.68 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.035 0.445 . . . . 0.0 111.475 -177.609 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -112.16 -74.0 0.65 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.253 179.23 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 817' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 821' ' ' ASP . 1.5 t -85.55 -23.41 27.68 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -174.048 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.771 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 97.3 t -66.14 -57.93 11.98 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.715 -175.229 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.771 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 26.0 Cg_exo -63.4 -37.2 50.79 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 121.839 1.692 . . . . 0.0 111.856 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.83 -33.04 65.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -177.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . 0.668 ' HB3' HD13 ' A' ' 844' ' ' LEU . 0.4 OUTLIER -66.42 -39.21 88.83 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 175.869 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 15.7 t -60.29 -44.14 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.08 174.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -46.05 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.282 175.415 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.696 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 9.4 ttt180 -58.68 -48.18 81.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.362 177.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.557 ' HG ' HG23 ' A' ' 840' ' ' THR . 5.7 mt -54.77 -45.27 74.22 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.935 178.185 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -33.66 75.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.434 177.768 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 29.1 m -70.37 -42.4 71.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.074 178.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.696 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 1.6 mm-40 -64.41 -36.41 84.08 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.228 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.42 97.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 178.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -66.31 -17.0 64.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.249 178.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.67 6.06 25.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.69 177.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 56.02 31.84 18.8 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.945 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -87.47 72.97 9.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.68 179.322 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.644 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 44.7 m-85 -63.54 -24.8 67.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.57 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.22 97.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.253 0.549 . . . . 0.0 109.733 174.309 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.54 -33.71 60.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.861 179.234 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' ' 828' ' ' GLU . 0.7 OUTLIER -55.97 -53.26 59.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.36 175.308 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.84 99.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.081 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -60.81 -47.23 87.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.199 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.557 HG23 ' HG ' ' A' ' 825' ' ' LEU . 3.9 m -68.19 -39.22 82.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.948 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . 0.556 ' HB2' ' HG3' ' A' ' 864' ' ' GLU . . . -65.48 -31.31 72.31 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.192 0.52 . . . . 0.0 110.64 177.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -68.23 -48.35 65.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.84 174.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -47.4 84.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.273 178.001 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.707 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.1 OUTLIER -61.39 -38.15 86.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.768 -178.272 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.54 ' HD2' ' HG2' ' A' ' 861' ' ' GLU . 0.7 OUTLIER -54.09 -47.42 71.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.345 173.586 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -62.46 -42.1 99.73 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.283 -0.872 . . . . 0.0 112.865 -178.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.707 HG22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -62.56 -50.58 79.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 CA-C-N 116.702 0.251 . . . . 0.0 110.974 -179.343 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.527 ' HD2' ' HA3' ' A' ' 856' ' ' GLY . 4.8 m-85 -65.53 -39.07 91.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.78 -176.492 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.77 87.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.615 177.102 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 850' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' A' ' 847' ' ' VAL . 0.8 OUTLIER -82.28 -15.71 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.93 0.395 . . . . 0.0 110.785 178.25 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 848' ' ' PHE . 32.3 mt -91.38 -0.74 57.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.008 176.532 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.53 15.48 4.14 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.042 174.047 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.549 HD23 HD23 ' A' ' 889' ' ' LEU . 24.4 mt -89.35 75.55 7.68 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.818 -179.835 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.51 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -55.17 -55.7 36.52 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.437 -175.791 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.51 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 31.5 Cg_exo -59.66 -36.34 92.43 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.842 1.694 . . . . 0.0 112.073 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . 0.527 ' HA3' ' HD2' ' A' ' 848' ' ' PHE . . . -66.5 -43.49 92.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.031 176.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -39.41 94.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.763 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -35.07 79.31 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.357 177.617 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.39 -42.45 99.43 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 174.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 25.6 m -67.25 -27.6 67.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.17 177.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . 0.54 ' HG2' ' HD2' ' A' ' 845' ' ' LYS . 15.1 mm-40 -66.72 -54.13 26.22 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.23 0.538 . . . . 0.0 109.644 175.55 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.3 m -62.33 -37.51 85.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.807 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -57.83 -51.46 69.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.759 177.085 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . 0.556 ' HG3' ' HB2' ' A' ' 841' ' ' ALA . 1.6 mt-10 -57.41 -41.44 80.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.814 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -63.44 -38.17 90.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.021 178.237 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 7.5 mt -73.85 -27.32 61.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.882 0.372 . . . . 0.0 110.778 179.388 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.549 ' HA ' HD12 ' A' ' 875' ' ' ILE . 70.6 mt -74.78 -41.16 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.538 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.523 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -63.95 -37.47 87.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.307 176.872 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.523 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.4 OUTLIER -81.21 1.06 33.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 176.359 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp 53.15 48.98 21.0 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.75 175.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.06 87.3 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.185 178.26 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.646 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 74.8 t -51.98 -53.62 49.7 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.564 -175.468 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.646 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.8 Cg_exo -55.58 -39.88 88.54 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.953 1.769 . . . . 0.0 112.176 179.234 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.05 93.6 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.581 -0.818 . . . . 0.0 111.482 177.019 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.579 HG22 HD22 ' A' ' 837' ' ' LEU . 52.9 mt -58.25 -54.38 33.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.625 0.25 . . . . 0.0 110.845 178.512 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -56.66 -45.35 81.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.073 -178.018 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -40.5 95.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.292 -177.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -73.48 -32.19 64.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -178.413 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 875' ' ' ILE . 89.4 mt -61.96 -46.77 95.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 0.0 110.438 176.126 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -28.95 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.211 177.303 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.32 -34.96 79.15 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.301 0.572 . . . . 0.0 110.519 174.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 53.1 mt -68.95 -32.74 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.937 172.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.6 -43.42 66.25 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.616 -178.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.3 p -66.69 -32.77 74.29 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.057 177.252 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -57.42 -58.37 8.59 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 122.408 1.099 . . . . 0.0 109.793 174.53 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -35.82 74.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 113.329 -1.759 . . . . 0.0 110.514 -177.529 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -55.06 -51.84 65.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.108 176.403 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -33.13 73.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.822 -178.067 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . 0.549 HD23 HD23 ' A' ' 853' ' ' LEU . 0.0 OUTLIER -72.3 -29.84 64.23 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -177.732 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.871 -0.585 . . . . 0.0 111.018 178.434 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 4.1 t30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.834 0.35 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -65.67 -43.08 90.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.517 178.431 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -60.31 -45.83 92.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 178.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.25 -30.93 71.46 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.265 0.555 . . . . 0.0 110.743 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -78.48 -41.15 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.088 178.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.08 82.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.147 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 808' ' ' SER . . . . . 0.42 ' HB2' ' CD2' ' A' ' 810' ' ' TYR . 1.6 p -70.8 -33.33 70.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.994 0.426 . . . . 0.0 110.203 178.254 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 100.94 -10.33 58.6 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.466 176.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . 0.42 ' CD2' ' HB2' ' A' ' 808' ' ' SER . 13.8 m-85 -80.48 20.73 0.68 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.107 0.48 . . . . 0.0 111.336 -175.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.59 -31.54 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.141 176.179 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.81 85.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.916 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -40.71 96.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.093 0.473 . . . . 0.0 110.53 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.431 ' HA ' HG22 ' A' ' 818' ' ' VAL . 64.8 t80 -64.91 -41.37 95.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.349 -178.17 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . 0.469 HG11 HD21 ' A' ' 890' ' ' LEU . 27.7 m -91.85 11.38 2.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.959 -177.622 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -112.87 -66.11 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.026 178.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 817' ' ' THR . . . . . 0.496 HG21 ' N ' ' A' ' 818' ' ' VAL . 1.0 OUTLIER -81.73 -34.37 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.933 -173.7 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.523 HG13 HG13 ' A' ' 886' ' ' VAL . 98.2 t -60.33 -52.62 71.75 Favored Pre-proline 0 CA--C 1.537 0.452 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.425 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 818' ' ' VAL . 12.3 Cg_endo -57.24 -39.49 89.77 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 121.936 1.757 . . . . 0.0 112.561 177.601 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -73.24 -41.69 63.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.719 -178.773 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -43.72 98.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.178 179.134 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . 0.412 HG12 ' HB2' ' A' ' 883' ' ' ASP . 31.7 t -61.93 -43.51 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 176.817 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 823' ' ' LYS . 6.0 ttpt -63.92 -44.47 92.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 179.041 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -62.8 -38.4 90.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.311 178.304 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.22 -45.49 79.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.956 174.499 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -59.09 -45.94 89.55 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.647 177.391 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 6.8 m -64.28 -45.45 87.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.047 -175.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -76.45 -25.26 54.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.326 -177.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.66 94.68 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.028 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.18 75.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.139 176.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -2.96 58.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.448 178.68 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.9 m 63.6 28.65 15.17 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.132 0.491 . . . . 0.0 110.509 -178.51 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -85.55 74.0 10.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.77 179.082 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.579 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 20.0 m-85 -64.86 -23.14 67.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.058 -177.525 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.09 -39.47 86.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.078 0.466 . . . . 0.0 110.016 175.127 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.6 -34.95 60.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.579 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 1.4 mp -57.62 -47.14 83.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.299 175.129 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.83 99.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.996 178.253 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -60.26 -46.93 88.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 111.019 178.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.3 m -68.58 -38.79 80.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.397 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . 0.42 ' HB3' HD11 ' A' ' 863' ' ' LEU . . . -64.27 -37.92 89.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.074 0.464 . . . . 0.0 110.271 176.66 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . 0.438 ' HD1' ' CD ' ' A' ' 864' ' ' GLU . 3.1 t60 -64.05 -39.42 94.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.183 175.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -45.07 89.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.604 177.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.423 ' O ' HG21 ' A' ' 847' ' ' VAL . 11.8 mt -64.28 -42.47 96.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.462 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.474 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 10.0 ttmt -55.54 -44.17 76.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.053 175.679 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -61.21 -50.43 67.25 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.794 -0.639 . . . . 0.0 113.201 -179.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 844' ' ' LEU . 0.7 OUTLIER -67.52 -39.17 81.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 117.122 0.461 . . . . 0.0 111.52 -176.858 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.24 -41.26 94.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.969 0.414 . . . . 0.0 110.077 178.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . 0.517 ' HA ' ' HE3' ' A' ' 857' ' ' LYS . . . -66.71 -36.02 81.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.787 176.442 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.5 ttt -65.83 -42.77 90.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.073 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 11.4 mt -84.61 -10.16 57.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.409 177.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 62.12 42.28 9.92 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.973 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.05 82.81 7.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.714 174.919 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.781 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 2.4 t -45.56 -61.66 2.26 Favored Pre-proline 0 N--CA 1.471 0.612 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -169.594 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.781 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 36.9 Cg_exo -58.11 -43.1 50.74 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 121.855 1.703 . . . . 0.0 112.223 -177.804 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -68.44 -38.0 86.35 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.244 179.642 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . 0.663 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 0.0 OUTLIER -67.88 -36.87 81.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.257 178.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -64.66 -36.49 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.156 0.503 . . . . 0.0 109.771 175.158 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 881' ' ' ASP . 13.4 mt -63.0 -48.36 79.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.179 179.878 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . 0.663 ' SG ' ' HA ' ' A' ' 857' ' ' LYS . 0.8 OUTLIER -72.12 -25.85 61.89 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.831 -178.65 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.0 -53.91 51.43 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.221 0.534 . . . . 0.0 110.028 174.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 862' ' ' THR . . . . . 0.445 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -66.99 -34.36 77.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.639 178.405 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.57 ' O ' HG12 ' A' ' 867' ' ' ILE . 0.0 OUTLIER -58.64 -50.17 74.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.327 175.766 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . 0.438 ' CD ' ' HD1' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -56.37 -41.61 76.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.133 0.492 . . . . 0.0 110.733 179.004 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.93 -39.47 90.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.68 177.171 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 70.1 mt -69.47 -30.1 67.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.476 0.179 . . . . 0.0 110.685 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 863' ' ' LEU . 14.6 mm -68.33 -42.82 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 175.85 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.488 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.22 -34.8 78.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.727 179.482 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 38.3 mm-40 -87.04 -8.85 56.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.985 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.28 42.07 18.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.228 -178.538 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -84.73 84.49 7.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.472 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.2 t -50.03 -55.06 26.88 Favored Pre-proline 0 CA--C 1.537 0.443 0 O-C-N 123.574 0.546 . . . . 0.0 112.326 -175.392 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.4 Cg_endo -56.52 -43.83 51.57 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.153 1.902 . . . . 0.0 112.402 178.013 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -64.68 -42.89 97.04 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.802 177.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.417 HG12 HD11 ' A' ' 867' ' ' ILE . 54.8 mt -58.16 -50.78 77.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 177.058 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.6 -48.65 76.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.458 178.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -61.03 -49.51 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.275 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.445 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 8.7 m-85 -72.31 -33.98 67.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -174.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 16.0 mt -61.95 -43.37 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.003 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 6.2 m -67.98 -31.73 71.65 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.758 177.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . 0.432 ' HA ' ' HG ' ' A' ' 884' ' ' SER . 0.7 OUTLIER -70.42 -38.57 74.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.021 0.439 . . . . 0.0 110.741 179.774 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 76.9 mt -69.11 -36.16 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.374 0.607 . . . . 0.0 109.875 174.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . 0.571 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 9.7 t70 -72.47 -42.66 64.69 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.327 -178.008 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 884' ' ' SER . . . . . 0.614 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 17.6 p -64.73 -28.4 69.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.271 176.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -56.07 -53.33 58.35 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 171.234 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.523 HG13 HG13 ' A' ' 818' ' ' VAL . 1.8 m -64.7 -31.52 54.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.454 176.325 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . 0.614 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 0.9 OUTLIER -69.71 -20.43 63.53 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.659 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -30.71 17.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.934 0.397 . . . . 0.0 110.125 174.345 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.04 -50.84 10.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.657 -178.334 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 1.1 pp . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.046 -176.338 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.318 0 CA-C-O 120.725 0.298 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -74.05 -42.87 59.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.601 -179.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -64.7 -37.16 86.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.349 178.103 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 2.8 tp -66.65 -33.48 75.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.277 0.56 . . . . 0.0 110.223 176.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.515 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 1.9 t-160 -69.02 -36.82 78.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.753 175.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -78.36 -26.48 46.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.064 -176.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 808' ' ' SER . . . . . 0.457 ' HB2' ' HD2' ' A' ' 810' ' ' TYR . 1.4 p -81.49 -17.11 49.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.917 0.389 . . . . 0.0 111.021 -178.692 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 89.57 5.95 71.18 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.617 178.083 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . 0.457 ' HD2' ' HB2' ' A' ' 808' ' ' SER . 75.1 m-85 -91.02 2.54 56.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.985 0.422 . . . . 0.0 110.437 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.515 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.4 t80 -64.81 -39.46 93.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.653 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.62 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.901 0.382 . . . . 0.0 110.59 177.221 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . 0.467 ' HA ' HD21 ' A' ' 813' ' ' LEU . 0.0 OUTLIER -66.93 -38.68 86.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.214 175.571 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.509 ' O ' ' HD3' ' A' ' 819' ' ' PRO . 84.4 t80 -59.69 -35.41 74.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.816 178.662 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 10.5 m -100.48 14.17 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 0.0 111.371 178.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -101.73 -64.79 1.03 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.384 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.51 -40.55 10.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.115 -174.159 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.676 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 58.5 t -55.9 -56.03 34.77 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -173.573 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.676 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 33.4 Cg_exo -59.7 -33.62 96.45 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.02 1.813 . . . . 0.0 112.085 -179.286 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.41 -42.43 65.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.452 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.56 -35.01 78.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.533 178.669 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 818' ' ' VAL . 56.0 t -62.68 -43.99 99.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.017 0.436 . . . . 0.0 110.149 175.049 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -67.39 -34.03 76.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.148 0.499 . . . . 0.0 110.331 177.077 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.454 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.4 ttp180 -65.19 -41.6 94.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.004 175.545 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.526 ' HG ' ' HB ' ' A' ' 840' ' ' THR . 1.9 mt -55.12 -47.57 74.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.988 0.423 . . . . 0.0 110.109 174.611 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -54.77 -45.53 74.25 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.575 0.702 . . . . 0.0 110.459 175.404 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.0 m -64.17 -46.18 85.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.516 -177.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.461 ' HA ' ' HG1' ' A' ' 831' ' ' THR . 7.8 mm-40 -74.15 -25.93 60.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.01 -177.472 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.49 84.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 0.0 109.897 174.007 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -69.44 -29.82 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.988 175.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 831' ' ' THR . . . . . 0.461 ' HG1' ' HA ' ' A' ' 828' ' ' GLU . 0.3 OUTLIER -78.62 -13.48 59.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.051 176.11 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.59 21.06 12.56 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.721 -175.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -86.11 78.63 9.36 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.145 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.538 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 38.6 m-85 -61.91 -25.54 67.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.411 -179.113 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.7 85.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.16 0.505 . . . . 0.0 109.704 174.347 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -73.86 -36.09 64.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.09 177.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.538 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.4 OUTLIER -58.44 -44.72 89.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.404 174.223 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.1 85.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.222 176.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -61.87 -41.57 98.01 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.309 177.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.526 ' HB ' ' HG ' ' A' ' 825' ' ' LEU . 0.0 OUTLIER -71.05 -42.49 69.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.938 0.399 . . . . 0.0 110.426 179.346 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.15 75.12 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 175.691 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -61.16 -49.43 77.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.618 176.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -42.88 94.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.717 179.068 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 844' ' ' LEU . 6.0 mt -66.21 -46.42 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -177.504 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.451 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 0.0 OUTLIER -60.75 -37.3 81.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.09 178.527 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.45 -51.23 44.26 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.068 -0.586 . . . . 0.0 112.63 178.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.636 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 9.8 p -68.81 -36.2 73.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.938 0.369 . . . . 0.0 111.476 -177.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -66.67 -38.23 86.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . 0.725 ' HB3' ' HD2' ' A' ' 857' ' ' LYS . . . -64.6 -32.5 74.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.103 0.478 . . . . 0.0 110.283 175.03 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.22 -35.74 80.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.579 177.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.4 OUTLIER -86.93 -7.03 58.57 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.601 0.238 . . . . 0.0 110.406 175.525 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 71.84 19.57 4.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.089 177.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.49 81.93 2.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.568 177.844 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.495 ' HB ' ' CD ' ' A' ' 855' ' ' PRO . 3.4 t -52.36 -61.02 5.08 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.924 -174.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.495 ' CD ' ' HB ' ' A' ' 854' ' ' VAL . 8.1 Cg_endo -52.77 -43.72 53.69 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.413 2.075 . . . . 0.0 112.648 -178.793 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.98 -45.78 79.67 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.167 178.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . 0.725 ' HD2' ' HB3' ' A' ' 849' ' ' ALA . 23.4 tttt -62.6 -39.9 95.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.836 0.35 . . . . 0.0 110.107 178.361 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . 0.506 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 8.2 tp60 -66.53 -34.43 77.89 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.42 178.686 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -44.85 86.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 8.9 m -66.2 -35.57 80.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.076 177.171 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . 0.506 ' HG3' ' HA ' ' A' ' 858' ' ' GLN . 1.6 mt-10 -62.78 -48.31 79.7 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.064 0.459 . . . . 0.0 110.351 177.004 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.2 m -66.41 -33.26 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.574 178.211 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -46.33 89.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.214 174.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.18 -42.5 81.3 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.208 0.528 . . . . 0.0 110.183 176.084 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . 0.792 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 12.1 t60 -68.49 -29.55 68.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.26 179.199 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . 0.637 HD23 ' HA3' ' A' ' 874' ' ' GLY . 13.8 mt -75.46 -28.91 59.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.025 0.44 . . . . 0.0 110.258 176.476 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 4.3 mt -72.2 -45.43 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.967 175.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.792 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -64.69 -36.26 83.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.736 178.793 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.568 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.3 OUTLIER -82.42 -12.13 58.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 178.742 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 870' ' ' LYS . 0.0 OUTLIER 57.92 64.76 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.324 -178.279 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -117.2 91.8 3.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.26 176.061 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.684 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 86.4 t -54.24 -54.95 42.13 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.046 -178.129 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.684 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 52.7 Cg_exo -56.17 -39.8 88.93 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.055 1.837 . . . . 0.0 112.159 178.756 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . 0.637 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -62.93 -49.84 68.84 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.854 177.294 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 879' ' ' ILE . 55.9 mt -57.1 -49.14 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.732 0.301 . . . . 0.0 110.221 177.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.57 -49.56 72.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.258 -179.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -36.19 82.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.376 -178.015 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -74.72 -32.2 62.08 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.031 -178.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 875' ' ' ILE . 89.4 mt -66.86 -41.44 87.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.057 175.321 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -33.22 71.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.955 0.407 . . . . 0.0 109.993 177.138 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -46.03 79.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.379 176.374 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.69 -32.31 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 178.166 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 7.5 t70 -71.68 -44.1 64.85 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.068 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -38.6 83.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.772 -1.103 . . . . 0.0 109.77 173.861 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . 0.479 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 25.3 t80 -59.16 -57.49 12.81 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 122.528 1.156 . . . . 0.0 110.553 178.569 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 1.5 t -62.41 -34.2 63.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 113.292 -1.776 . . . . 0.0 110.28 -178.378 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 0.1 OUTLIER -66.62 -33.58 75.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.704 178.3 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.99 -29.85 39.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 110.498 178.226 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -21.36 60.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.042 0.448 . . . . 0.0 110.619 177.328 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.459 -0.782 . . . . 0.0 110.627 176.368 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 802' ' ' ASN . . . . . 0.403 ' HA ' HD21 ' A' ' 805' ' ' LEU . 2.7 p-10 . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.012 0.434 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -66.07 -42.42 89.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.463 178.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -40.94 99.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.835 178.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 805' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -69.89 -29.92 67.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 -179.175 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 806' ' ' HIS . . . . . 0.447 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 10.5 t-160 -76.15 -37.81 57.52 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.315 174.621 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.24 -37.06 85.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.338 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -33.04 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.037 177.138 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 103.01 8.62 41.52 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.668 177.101 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -96.57 13.01 29.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.342 0.592 . . . . 0.0 111.077 -177.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 811' ' ' TYR . . . . . 0.624 ' OH ' ' HA ' ' A' ' 890' ' ' LEU . 4.8 t80 -60.74 -30.71 70.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.685 174.144 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.66 -48.43 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.388 179.074 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.16 -32.64 73.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.121 0.486 . . . . 0.0 110.194 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 814' ' ' PHE . . . . . 0.473 ' HE1' ' HE1' ' A' ' 848' ' ' PHE . 18.3 t80 -61.2 -41.6 97.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.079 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 815' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 890' ' ' LEU . 28.7 m -93.41 -0.83 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.823 0.344 . . . . 0.0 111.607 -178.294 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -94.82 -66.37 0.92 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.795 -175.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.6 t -102.82 -18.47 15.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -171.175 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 818' ' ' VAL . . . . . 0.431 ' HB ' ' O ' ' A' ' 814' ' ' PHE . 94.5 t -65.73 -56.52 17.72 Favored Pre-proline 0 CA--C 1.536 0.427 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.789 -175.082 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 819' ' ' PRO . . . . . 0.451 ' O ' HG23 ' A' ' 822' ' ' VAL . 21.8 Cg_endo -62.03 -26.05 78.1 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.847 1.698 . . . . 0.0 112.188 178.755 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -33.34 70.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.073 0.464 . . . . 0.0 109.823 177.13 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.98 -34.42 61.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.64 179.424 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 822' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 819' ' ' PRO . 1.1 m -65.89 -37.4 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.626 -0.43 . . . . 0.0 109.845 174.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 823' ' ' LYS . . . . . 0.613 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.2 OUTLIER -68.42 -38.72 81.48 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 174.792 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.66 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -59.66 -45.75 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.639 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.633 ' HG ' HG23 ' A' ' 840' ' ' THR . 1.5 mt -53.26 -47.3 69.2 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.315 0.385 . . . . 0.0 110.515 176.421 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 826' ' ' TYR . . . . . 0.613 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 21.0 m-85 -53.7 -45.86 70.54 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.43 175.167 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.8 m -64.07 -46.53 83.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.903 -177.016 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 828' ' ' GLU . . . . . 0.66 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 14.6 mm-40 -72.56 -30.83 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.623 -177.903 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.78 94.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.638 178.587 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.69 78.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.332 179.185 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 831' ' ' THR . . . . . 0.425 ' C ' ' HG ' ' A' ' 832' ' ' SER . 0.3 OUTLIER -90.76 8.95 32.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.472 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 832' ' ' SER . . . . . 0.425 ' HG ' ' C ' ' A' ' 831' ' ' THR . 1.0 OUTLIER 53.4 35.5 20.62 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.691 0.796 . . . . 0.0 111.005 179.376 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -88.69 71.77 8.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.403 178.084 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 834' ' ' PHE . . . . . 0.607 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 97.3 m-85 -61.1 -28.07 68.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.571 -179.335 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.02 97.33 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.194 0.521 . . . . 0.0 109.93 174.401 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.79 60.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.687 178.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 837' ' ' LEU . . . . . 0.607 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.8 OUTLIER -57.14 -46.97 82.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.113 174.44 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.79 98.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.031 177.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -61.85 -47.41 85.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.633 0.254 . . . . 0.0 111.369 177.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 840' ' ' THR . . . . . 0.633 HG23 ' HG ' ' A' ' 825' ' ' LEU . 5.2 m -63.82 -40.06 95.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.781 179.654 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.5 87.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.911 0.386 . . . . 0.0 110.23 176.024 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -65.56 -41.9 92.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.189 176.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -43.85 92.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.221 177.595 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 844' ' ' LEU . . . . . 0.514 ' HB3' ' SG ' ' A' ' 860' ' ' CYS . 6.4 mt -66.29 -39.18 89.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.635 179.589 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 845' ' ' LYS . . . . . 0.702 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 23.3 ttmt -58.65 -44.24 90.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.821 175.223 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.26 71.35 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.009 -179.175 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 29.9 m -67.5 -39.15 81.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 117.223 0.511 . . . . 0.0 111.512 -176.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.473 ' HE1' ' HE1' ' A' ' 814' ' ' PHE . 3.4 m-85 -69.4 -40.89 77.08 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.53 88.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.941 0.4 . . . . 0.0 110.331 175.33 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 32.8 tpp -63.76 -43.74 95.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.692 176.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 60.7 mt -74.64 -10.78 59.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.214 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 0.8 OUTLIER 80.64 18.3 0.56 Allowed 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.655 0.74 . . . . 0.0 109.777 178.167 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 18.0 mt -87.87 80.6 7.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.898 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 854' ' ' VAL . . . . . 0.596 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 4.4 t -56.8 -52.64 72.24 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.414 -177.542 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 855' ' ' PRO . . . . . 0.596 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 65.0 Cg_exo -53.2 -47.59 26.67 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.36 2.04 . . . . 0.0 112.632 178.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -61.88 -45.86 95.31 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.992 178.02 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.13 -38.55 91.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.622 0.249 . . . . 0.0 110.46 179.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -35.49 79.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.114 178.156 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.55 -45.18 94.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.819 175.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 860' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 15.7 m -64.23 -37.32 87.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.32 177.483 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 861' ' ' GLU . . . . . 0.702 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 15.5 mt-10 -63.15 -45.96 89.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.148 177.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 4.9 m -66.83 -34.62 78.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.585 177.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.43 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -60.52 -47.29 86.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.118 175.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.48 -45.0 73.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.255 0.55 . . . . 0.0 110.288 176.102 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -62.04 -44.27 97.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.879 177.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.35 -36.99 84.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.873 0.368 . . . . 0.0 110.71 179.486 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.435 ' HA ' HD12 ' A' ' 875' ' ' ILE . 43.5 mt -70.19 -39.84 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.975 178.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 868' ' ' ARG . . . . . 0.495 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.28 -33.86 76.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.761 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 869' ' ' GLU . . . . . 0.495 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 10.9 pt-20 -96.52 1.37 51.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.093 0.473 . . . . 0.0 110.682 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 61.18 36.03 18.21 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.479 173.329 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -80.55 79.89 7.09 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.007 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 872' ' ' VAL . . . . . 0.666 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 6.6 t -49.04 -54.04 32.41 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.595 -175.534 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 873' ' ' PRO . . . . . 0.666 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 52.0 Cg_exo -55.87 -39.97 87.93 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.044 1.829 . . . . 0.0 112.336 178.155 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -68.61 -37.99 85.61 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.871 178.652 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.49 ' O ' HG13 ' A' ' 879' ' ' ILE . 47.8 mt -61.84 -55.47 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.416 0.15 . . . . 0.0 111.02 179.322 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 876' ' ' GLU . . . . . 0.543 ' HA ' HD13 ' A' ' 879' ' ' ILE . 4.3 pt-20 -61.71 -40.04 93.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.689 -177.75 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -42.67 94.98 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.34 177.698 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 878' ' ' TYR . . . . . 0.43 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 2.4 m-85 -69.75 -32.03 70.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 -179.126 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 879' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' A' ' 876' ' ' GLU . 78.7 mt -60.55 -45.34 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.561 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -29.06 67.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.981 176.517 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.23 -39.35 75.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.087 0.47 . . . . 0.0 110.24 178.222 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 5.5 mt -67.64 -33.18 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.659 173.541 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 883' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 14.0 t0 -69.56 -48.59 59.81 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.422 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.4 p -63.72 -40.41 96.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.574 178.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -48.71 -56.68 7.86 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 122.16 0.981 . . . . 0.0 109.858 172.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 886' ' ' VAL . . . . . 0.619 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.2 t -67.3 -37.16 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.142 0 CA-C-N 113.535 -1.666 . . . . 0.0 110.758 -176.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 887' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 14.1 mmtm -55.61 -40.97 72.81 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 177.605 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.2 p -90.92 -23.39 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.478 -176.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.6 -25.83 35.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -177.469 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.624 ' HA ' ' OH ' ' A' ' 811' ' ' TYR . 1.6 pp . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.317 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 775' ' ' MET . . . . . 0.58 ' HB2' ' HA ' ' A' ' 779' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.212 0.529 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.06 -27.12 7.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.65 -177.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.517 ' H ' ' CD ' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -102.34 -77.39 0.56 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.74 -178.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -69.35 -34.93 75.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.079 -177.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.792 HG12 ' H ' ' A' ' 780' ' ' LEU . 4.3 p 41.7 -90.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.684 1.193 . . . . 0.0 112.814 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . 0.792 ' H ' HG12 ' A' ' 779' ' ' VAL . 12.8 mt -143.97 142.91 30.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 117.921 0.328 . . . . 0.0 110.521 -178.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.06 162.53 19.83 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.984 ' HG ' HG12 ' A' ' 783' ' ' ILE . 0.1 OUTLIER -73.58 -45.76 51.28 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.984 HG12 ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -163.39 -126.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 171.457 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.489 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 0.0 OUTLIER -142.38 -39.78 0.35 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.734 -0.387 . . . . 0.0 111.247 174.711 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.419 ' H ' HG21 ' A' ' 785' ' ' VAL . 4.4 m -108.51 -37.87 3.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.748 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . 0.666 ' HG3' HD13 ' A' ' 782' ' ' LEU . 0.0 OUTLIER 62.98 73.19 0.47 Allowed 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 122.759 0.424 . . . . 0.0 111.359 177.216 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 61.32 23.62 13.83 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.376 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -120.13 168.02 11.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.308 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 63.24 23.24 13.75 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.705 0.628 . . . . 0.0 111.753 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -118.77 156.9 28.56 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.85 120.39 20.37 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.522 -176.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 12.3 p -93.76 49.29 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-O 122.536 1.16 . . . . 0.0 109.945 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 10.8 t -93.97 26.15 3.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.981 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . 0.523 ' C ' ' HG ' ' A' ' 795' ' ' SER . 1.8 tt0 -82.55 -168.96 2.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.16 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' SER . . . . . 0.523 ' HG ' ' C ' ' A' ' 794' ' ' GLU . 0.0 OUTLIER 59.1 97.54 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.53 0 C-N-CA 123.736 0.814 . . . . 0.0 111.431 -177.445 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.96 -144.26 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.176 2.584 . . . . 0.0 112.168 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.97 133.12 51.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 132.28 96.92 0.66 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.572 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -142.37 -68.54 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.566 -0.613 . . . . 0.0 111.566 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -165.95 40.34 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.591 0.71 . . . . 0.0 109.308 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 34.5 mp0 -55.0 -40.11 69.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.27 -174.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -36.49 76.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.951 0.405 . . . . 0.0 110.242 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -69.4 -36.9 77.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.032 0.444 . . . . 0.0 110.045 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -60.52 -48.47 81.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.602 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -31.33 72.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.69 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -68.21 -40.13 82.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.741 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.08 70.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.832 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -31.18 70.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.966 0.412 . . . . 0.0 110.389 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 107.74 -0.98 34.1 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.833 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -76.8 -0.62 24.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.195 0.522 . . . . 0.0 110.689 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.06 -29.45 69.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.07 174.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.49 -40.54 91.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.488 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.2 mt -71.93 -36.6 69.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.011 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.563 ' HA ' HG22 ' A' ' 818' ' ' VAL . 0.4 OUTLIER -59.18 -31.88 69.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.535 -178.447 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . 0.413 HG11 HD23 ' A' ' 890' ' ' LEU . 11.9 m -106.39 6.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.691 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -97.43 -81.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.718 0.294 . . . . 0.0 110.714 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.0 -21.93 23.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.77 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 92.9 t -64.5 -57.68 16.28 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -173.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.77 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 39.4 Cg_exo -62.5 -28.68 77.88 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 121.923 1.749 . . . . 0.0 111.786 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 823' ' ' LYS . 15.5 t70 -66.59 -41.9 87.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.462 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.72 -34.04 71.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.165 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . 0.429 ' O ' ' HB2' ' A' ' 825' ' ' LEU . 53.7 t -65.74 -49.34 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -67.26 -29.11 68.64 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.45 178.492 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.714 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 6.5 ttm105 -68.13 -44.29 76.43 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.876 ' HG ' HG23 ' A' ' 840' ' ' THR . 9.8 mt -48.05 -49.87 29.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.979 0.419 . . . . 0.0 110.414 174.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.42 -45.02 92.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.016 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 36.1 m -66.73 -45.47 78.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.387 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.714 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 4.0 mm-40 -71.66 -30.19 65.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.778 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.32 93.47 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.867 0.365 . . . . 0.0 110.174 175.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.56 85.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.999 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -10.29 59.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.408 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 6.7 m 66.51 33.77 6.5 Favored 'General case' 0 N--CA 1.46 0.057 0 CA-C-O 121.456 0.646 . . . . 0.0 110.47 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -82.78 76.48 9.62 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.469 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.688 ' HA ' HD11 ' A' ' 837' ' ' LEU . 58.1 m-85 -55.15 -27.71 47.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.014 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.97 91.42 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.113 0.482 . . . . 0.0 110.729 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 839' ' ' GLN . . . -82.2 -33.94 29.18 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.365 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 834' ' ' PHE . 44.4 mt -60.16 -43.0 96.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.77 -1.104 . . . . 0.0 109.938 174.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -67.62 -49.29 63.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.969 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 836' ' ' ALA . 0.1 OUTLIER -60.99 -39.59 90.23 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.29 -178.285 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.876 HG23 ' HG ' ' A' ' 825' ' ' LEU . 4.5 m -73.29 -37.26 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.87 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.33 93.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 110.114 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -38.12 77.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.597 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -47.92 82.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.482 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.564 HD13 HD13 ' A' ' 825' ' ' LEU . 11.9 mt -64.96 -41.0 95.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.533 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.687 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 11.1 ttmt -56.28 -44.05 79.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.087 175.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.57 -44.78 70.3 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.762 -0.653 . . . . 0.0 113.083 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 31.4 m -71.91 -32.37 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 117.115 0.458 . . . . 0.0 111.204 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.69 -38.15 73.67 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.6 78.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.081 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 2.6 tpp -66.55 -41.77 88.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.473 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 60.4 mt -74.52 -11.48 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.485 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 74.5 25.05 1.67 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.386 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.96 92.95 8.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.868 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.458 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 2.6 t -61.9 -55.94 36.76 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.965 -175.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 10.0 Cg_endo -54.52 -36.74 89.43 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.412 2.075 . . . . 0.0 112.782 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.41 -47.82 67.83 Favored Glycine 0 C--O 1.239 0.436 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.723 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -35.71 80.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -44.74 90.79 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.9 mt -58.88 -44.08 91.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.978 0.418 . . . . 0.0 110.301 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 12.2 m -66.66 -32.38 73.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.075 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . 0.687 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 1.4 mm-40 -65.04 -47.98 75.46 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -34.6 78.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.409 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 863' ' ' LEU . 0.6 OUTLIER -57.42 -51.08 70.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 177.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . 0.504 ' CD ' ' HZ3' ' A' ' 845' ' ' LYS . 2.5 pt-20 -62.95 -36.37 83.22 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 110.426 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -67.35 -38.78 85.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.591 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . 0.41 HD21 ' HA3' ' A' ' 874' ' ' GLY . 14.6 mt -67.29 -29.79 69.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.788 0.327 . . . . 0.0 110.383 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.513 ' HA ' HD12 ' A' ' 875' ' ' ILE . 23.5 mt -72.37 -38.78 61.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.586 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.38 -35.74 81.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.9 177.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.586 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 20.1 mm-40 -85.4 -7.4 58.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp 62.07 36.72 15.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.079 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -89.98 82.0 6.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.48 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.9 t -52.03 -53.24 54.0 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.411 -176.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 13.3 Cg_endo -57.53 -35.03 98.91 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.327 2.018 . . . . 0.0 112.424 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . 0.41 ' HA3' HD21 ' A' ' 866' ' ' LEU . . . -70.36 -42.08 66.1 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.029 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 867' ' ' ILE . 56.2 mt -57.25 -53.39 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.626 0.25 . . . . 0.0 110.46 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 0.2 OUTLIER -65.59 -33.89 76.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.002 -178.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -59.1 -49.52 77.57 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.166 176.745 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.475 ' HA ' ' HB2' ' A' ' 881' ' ' ASP . 4.8 m-85 -72.45 -31.88 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 -177.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.21 -43.12 88.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.3 m -67.43 -37.01 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.468 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 885' ' ' TYR . 0.2 OUTLIER -65.69 -35.09 79.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.185 0.517 . . . . 0.0 110.597 178.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 68.3 mt -73.69 -33.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.155 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -69.29 -46.85 66.2 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.0 p -62.9 -38.49 91.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.067 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . 0.481 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 5.7 t80 -60.5 -57.87 10.88 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.995 0.903 . . . . 0.0 110.312 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.61 -36.56 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 CA-C-N 113.751 -1.568 . . . . 0.0 110.358 -178.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 178.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -27.6 61.7 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.572 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . 0.468 ' HB3' ' CE2' ' A' ' 814' ' ' PHE . 0.2 OUTLIER -88.14 -13.02 42.34 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.094 -0.243 . . . . 0.0 111.459 -178.528 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 890' ' ' LEU . 13.0 mt . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.458 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 16.0 ttm . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.353 0.121 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.66 -13.97 60.34 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -68.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.249 0.547 . . . . 0.0 109.597 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -88.23 53.31 2.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.558 0.694 . . . . 0.0 109.793 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 9.0 p -87.09 155.81 3.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.566 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . 0.496 ' H ' ' HG ' ' A' ' 780' ' ' LEU . 0.0 OUTLIER -54.18 -50.3 67.34 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 174.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . 0.677 ' HG3' ' HG2' ' A' ' 784' ' ' GLU . 0.6 OUTLIER 173.9 -44.83 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.098 -0.956 . . . . 0.0 108.794 176.439 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 1.022 ' HG ' HG12 ' A' ' 783' ' ' ILE . 50.7 tp 66.17 -83.74 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.25 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 1.022 HG12 ' HG ' ' A' ' 782' ' ' LEU . 0.2 OUTLIER -142.1 1.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.037 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.677 ' HG2' ' HG3' ' A' ' 781' ' ' GLN . 15.2 mm-40 71.84 -19.45 0.27 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.544 0.737 . . . . 0.0 112.496 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.541 HG21 ' HB ' ' A' ' 783' ' ' ILE . 0.0 OUTLIER -92.04 -61.9 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.723 0.297 . . . . 0.0 110.477 -176.168 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 65.63 4.05 2.68 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.483 175.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . 0.509 ' HA ' HD11 ' A' ' 787' ' ' LEU . 0.0 OUTLIER -168.73 -48.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.912 0.387 . . . . 0.0 110.545 -178.16 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -65.7 -18.05 65.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.495 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . 0.427 ' HB2' HG12 ' A' ' 785' ' ' VAL . 0.0 OUTLIER -145.75 140.43 27.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 176.708 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.645 ' HG3' ' H ' ' A' ' 791' ' ' GLU . 0.7 OUTLIER 62.95 -174.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 O-C-N 124.16 0.913 . . . . 0.0 110.867 -174.211 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . 0.645 ' H ' ' HG3' ' A' ' 790' ' ' GLU . 2.8 tp10 56.34 25.54 9.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.188 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . 0.495 HG21 ' C ' ' A' ' 791' ' ' GLU . 0.1 OUTLIER 34.07 -144.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.029 0.932 . . . . 0.0 112.522 -172.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 793' ' ' THR . . . . . 0.49 ' H ' ' HB ' ' A' ' 792' ' ' VAL . 0.1 OUTLIER -133.04 -2.53 3.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.337 -0.227 . . . . 0.0 111.383 175.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 64.83 -83.05 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.394 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.33 115.59 55.84 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 120.969 0.414 . . . . 0.0 111.339 -178.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -75.34 84.94 1.63 Allowed 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.996 2.464 . . . . 0.0 112.067 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 57.61 -131.44 1.42 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.526 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -136.1 -61.82 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.391 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 88.39 -14.31 59.84 Favored Glycine 0 N--CA 1.453 -0.185 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.97 50.47 2.05 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -54.17 -34.2 59.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.875 -174.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -62.84 -42.09 99.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.672 0.272 . . . . 0.0 110.742 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -71.1 -39.41 72.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.753 0.311 . . . . 0.0 110.416 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -61.63 -47.17 86.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.022 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.529 ' HA ' ' CE1' ' A' ' 810' ' ' TYR . 0.1 OUTLIER -67.93 -32.71 73.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.573 -178.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.528 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 18.8 t-80 -70.72 -51.3 28.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.069 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -68.95 -27.63 65.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.977 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 72.4 m -78.92 -1.14 33.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.24 -31.33 4.47 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.535 -0.84 . . . . 0.0 114.02 172.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . 0.529 ' CE1' ' HA ' ' A' ' 805' ' ' LEU . 1.7 p90 -73.38 8.6 1.67 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.655 0.727 . . . . 0.0 111.932 -176.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.528 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 15.6 t80 -61.74 -32.11 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 170.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -61.22 -42.53 98.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.598 177.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -31.13 63.68 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 109.773 177.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.698 ' HA ' HG22 ' A' ' 818' ' ' VAL . 51.1 t80 -61.03 -40.08 92.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.608 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . 0.672 HG11 HD22 ' A' ' 890' ' ' LEU . 32.1 m -93.42 2.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 0.0 111.212 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 5.4 t0 -92.24 -61.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.775 -178.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' THR . . . . . 0.451 HG21 ' N ' ' A' ' 818' ' ' VAL . 1.9 t -104.79 -34.04 8.22 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.698 HG22 ' HA ' ' A' ' 814' ' ' PHE . 46.2 t -57.36 -55.23 46.55 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -170.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.97 -39.65 59.03 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 121.597 1.531 . . . . 0.0 111.921 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' A' ' 824' ' ' ARG . 16.3 t70 -65.79 -40.12 91.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.216 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . 0.475 ' HB3' HD23 ' A' ' 844' ' ' LEU . 0.4 OUTLIER -60.08 -40.28 89.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.299 177.847 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.5 -42.31 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.448 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 826' ' ' TYR . 0.1 OUTLIER -62.27 -39.91 94.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.565 177.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.516 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 60.4 mtm-85 -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.21 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.63 ' HG ' HG23 ' A' ' 840' ' ' THR . 3.0 mt -58.73 -42.0 87.71 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.472 ' HB2' ' O ' ' A' ' 823' ' ' LYS . 10.9 m-85 -57.37 -43.04 83.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.121 173.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.8 m -65.57 -45.54 82.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.631 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.9 mm-40 -70.94 -28.05 64.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.052 0.453 . . . . 0.0 110.675 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . 0.787 ' HA ' HD13 ' A' ' 837' ' ' LEU . . . -70.3 -33.93 72.13 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.685 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.12 -30.81 71.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.147 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -7.8 52.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.77 0.319 . . . . 0.0 111.032 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.69 33.07 22.81 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 110.275 -177.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -84.83 76.68 10.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.942 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.583 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 96.9 m-85 -52.74 -30.51 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.705 -178.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.558 0.695 . . . . 0.0 110.182 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -80.78 -34.01 34.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.498 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.787 HD13 ' HA ' ' A' ' 829' ' ' ALA . 0.4 OUTLIER -58.18 -45.97 86.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.929 174.729 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.51 91.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.259 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -64.68 -39.33 93.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.605 0.241 . . . . 0.0 111.202 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.63 HG23 ' HG ' ' A' ' 825' ' ' LEU . 4.9 m -74.05 -38.03 64.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.67 0.271 . . . . 0.0 110.754 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.56 78.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.016 0.436 . . . . 0.0 109.88 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -44.25 94.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.04 173.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 2.8 mtm-85 -64.26 -44.86 90.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.888 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.49 ' HA ' HG23 ' A' ' 847' ' ' VAL . 0.9 OUTLIER -66.59 -40.2 88.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.171 0.51 . . . . 0.0 110.413 -178.321 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -63.14 -40.01 96.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.786 175.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.13 -45.45 71.51 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.955 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.49 HG23 ' HA ' ' A' ' 844' ' ' LEU . 16.2 m -65.78 -41.69 90.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 117.091 0.446 . . . . 0.0 111.227 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -67.65 -40.38 84.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.42 -34.74 78.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -60.63 -47.13 87.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.776 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.18 -5.67 59.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.854 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.9 34.67 1.88 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.076 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 9.6 mt -85.51 82.71 8.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.158 174.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.488 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 14.3 t -49.31 -54.01 34.01 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.753 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.488 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 49.6 Cg_exo -55.28 -43.71 56.07 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.92 1.747 . . . . 0.0 112.247 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.35 -48.31 70.55 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.375 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -36.13 83.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.569 0.223 . . . . 0.0 110.6 -179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -36.37 83.36 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.116 0.484 . . . . 0.0 110.109 177.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.436 ' HB3' HD13 ' A' ' 882' ' ' ILE . 0.3 OUTLIER -64.05 -44.99 90.77 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.878 176.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 56.5 m -63.8 -42.06 97.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.419 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -58.08 -48.11 81.15 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.094 0.473 . . . . 0.0 110.65 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 7.3 m -66.49 -36.19 82.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.835 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.563 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.6 OUTLIER -63.46 -44.35 94.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.479 176.44 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -36.54 77.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.939 0.399 . . . . 0.0 110.458 177.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -59.99 -47.06 87.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.027 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . 0.584 HD23 ' HA3' ' A' ' 874' ' ' GLY . 7.9 mt -64.12 -33.97 76.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.776 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 56.6 mt -74.41 -37.31 44.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.422 0.63 . . . . 0.0 109.558 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.535 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -63.13 -36.27 83.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.8 179.295 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.535 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 18.6 pt-20 -92.1 -0.63 57.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.867 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 66.0 mttt 60.36 37.63 20.02 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.763 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -87.45 84.27 7.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.951 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.41 ' H ' HG21 ' A' ' 872' ' ' VAL . 0.1 OUTLIER -51.65 -51.58 68.51 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -176.37 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.44 -42.13 71.21 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.243 1.962 . . . . 0.0 112.554 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . 0.584 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -68.09 -38.9 88.76 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.919 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 37.5 mt -61.39 -54.43 35.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.397 0.141 . . . . 0.0 110.737 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -36.11 81.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.613 -178.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -49.42 76.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.946 0.403 . . . . 0.0 110.642 177.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.563 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 1.6 m-85 -72.21 -32.11 66.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.498 -177.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.547 HG13 HD23 ' A' ' 863' ' ' LEU . 20.8 mt -62.76 -44.66 99.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.177 174.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 6.0 m -64.17 -32.92 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.053 0.454 . . . . 0.0 110.204 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.62 -33.95 67.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.078 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . 0.464 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 1.3 tt -70.84 -31.33 45.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.239 0.542 . . . . 0.0 110.057 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . 0.439 ' N ' HG21 ' A' ' 882' ' ' ILE . 7.0 t70 -73.17 -42.44 62.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.329 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 6.2 p -68.15 -32.14 72.2 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.823 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 74.6 t80 -56.2 -57.68 11.18 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.565 1.174 . . . . 0.0 109.89 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -30.56 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 CA-C-N 113.049 -1.887 . . . . 0.0 110.724 -176.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . 0.405 ' HG3' ' HZ1' ' A' ' 887' ' ' LYS . 7.7 mttp -70.67 -35.94 73.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.369 177.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.88 -25.97 61.27 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.245 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 1.7 mp -81.42 -19.07 43.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.612 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.672 HD22 HG11 ' A' ' 815' ' ' VAL . 3.7 mt . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.145 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 775' ' ' MET . . . . . 0.406 ' SD ' ' HG3' ' A' ' 776' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.289 0.09 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . 0.548 ' OE1' ' HG2' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -75.95 -55.69 5.37 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.639 0.257 . . . . 0.0 111.391 -177.176 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.548 ' HG2' ' OE1' ' A' ' 776' ' ' GLN . 19.3 mm-40 -64.98 -63.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.601 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -82.1 65.02 7.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.18 0.514 . . . . 0.0 110.95 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 4.2 p -73.3 155.02 7.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.437 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . 0.452 ' H ' ' HG ' ' A' ' 780' ' ' LEU . 0.0 OUTLIER -65.26 135.71 55.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.744 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -103.45 167.35 9.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.914 ' HG ' HG13 ' A' ' 783' ' ' ILE . 0.5 OUTLIER -119.72 -41.1 2.7 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.977 175.063 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.914 HG13 ' HG ' ' A' ' 782' ' ' LEU . 1.1 mt -88.46 42.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.498 0.666 . . . . 0.0 110.628 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -26.5 56.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.595 0.712 . . . . 0.0 109.136 174.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.614 ' HB ' ' HB2' ' A' ' 789' ' ' GLN . 0.0 OUTLIER -147.39 -47.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.044 176.074 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . 0.509 ' HB2' ' HA ' ' A' ' 783' ' ' ILE . 0.7 OUTLIER 53.8 -114.01 0.83 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.426 172.421 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . 0.443 ' H ' ' HB3' ' A' ' 786' ' ' GLN . 1.6 mp -78.84 -3.38 44.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.605 -171.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -94.91 -1.77 51.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.96 0.41 . . . . 0.0 111.031 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . 0.614 ' HB2' ' HB ' ' A' ' 785' ' ' VAL . 1.6 mt-30 -139.41 52.11 1.75 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.963 -178.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -153.8 -175.04 5.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.309 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 53.61 -149.6 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.291 0.994 . . . . 0.0 111.787 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 19.2 m 40.73 49.09 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.524 1.13 . . . . 0.0 112.954 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.45 60.52 3.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.378 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -112.34 140.83 46.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.065 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 795' ' ' SER . . . . . 0.436 ' HA ' ' HD2' ' A' ' 796' ' ' PRO . 1.1 p -161.93 118.38 1.31 Allowed Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.562 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 795' ' ' SER . 19.6 Cg_endo -60.3 133.99 52.81 Favored 'Trans proline' 0 CA--C 1.517 -0.337 0 C-N-CA 122.745 2.297 . . . . 0.0 112.733 176.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.57 151.85 22.66 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.498 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -66.31 -12.63 58.75 Favored Glycine 0 C--N 1.321 -0.303 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.353 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 89.82 10.04 65.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.998 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -146.08 100.9 3.45 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.54 ' HB2' HD23 ' A' ' 889' ' ' LEU . 4.9 mp0 -62.21 -37.58 85.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.22 -175.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -46.98 81.4 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.764 0.316 . . . . 0.0 110.502 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.27 97.33 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.457 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -56.81 -54.93 40.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.356 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.794 ' HB3' ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -52.86 -48.48 67.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.362 178.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -65.16 -57.71 7.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.543 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -66.01 -33.97 77.02 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -170.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 54.2 p -77.39 -15.61 59.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.061 0.458 . . . . 0.0 111.167 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 81.79 5.3 89.93 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.694 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . 0.664 ' HB3' HD21 ' A' ' 851' ' ' LEU . 1.7 m-85 -80.58 -6.54 58.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.598 -0.301 . . . . 0.0 110.578 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.794 ' HD1' ' HB3' ' A' ' 805' ' ' LEU . 8.6 t80 -56.92 -34.95 68.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.195 176.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.37 -46.03 89.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.625 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -39.24 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.352 0.596 . . . . 0.0 109.823 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.477 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 82.8 t80 -59.31 -41.93 90.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.61 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 29.6 m -96.07 7.3 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.699 -178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.13 -70.48 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.971 0.415 . . . . 0.0 111.044 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' THR . . . . . 0.557 HG21 ' N ' ' A' ' 818' ' ' VAL . 4.1 t -91.24 -33.67 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.902 -173.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.557 ' N ' HG21 ' A' ' 817' ' ' THR . 86.0 t -59.19 -56.17 38.79 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -171.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 818' ' ' VAL . 13.9 Cg_endo -57.83 -38.41 92.79 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 121.873 1.715 . . . . 0.0 112.532 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.43 -32.96 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.809 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . 0.725 ' HB3' HD13 ' A' ' 844' ' ' LEU . 1.2 m-20 -67.39 -37.33 82.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.989 0.423 . . . . 0.0 110.014 176.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.92 -44.62 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.853 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.28 -39.78 76.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.069 174.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.649 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -66.01 -48.43 71.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.304 178.249 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.563 HD13 HD12 ' A' ' 844' ' ' LEU . 7.1 mt -49.66 -46.8 50.13 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.108 0.48 . . . . 0.0 110.233 175.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -60.76 -43.72 97.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.965 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 63.7 m -67.98 -45.64 73.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.512 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 28.5 mm-40 -69.21 -28.1 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.974 0.416 . . . . 0.0 110.501 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . 0.56 ' HA ' HD13 ' A' ' 837' ' ' LEU . . . -69.07 -37.58 78.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.694 176.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.85 72.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.254 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -9.11 44.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.434 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.82 34.4 17.16 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.412 -175.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -87.34 73.8 9.56 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.706 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 88.9 m-85 -60.4 -21.34 62.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.724 -175.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.71 82.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.312 0.577 . . . . 0.0 109.793 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -79.12 -31.83 44.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.394 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.706 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.2 OUTLIER -59.31 -45.72 90.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.187 173.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.58 94.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.521 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -57.12 -47.26 81.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.126 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.635 HG23 ' HB3' ' A' ' 824' ' ' ARG . 0.3 OUTLIER -72.88 -41.86 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.718 -178.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . 0.671 ' O ' ' HG3' ' A' ' 845' ' ' LYS . . . -58.62 -47.02 85.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.477 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . 0.643 ' HA ' ' HD3' ' A' ' 845' ' ' LYS . 3.0 t60 -58.29 -44.0 88.3 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.469 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.483 ' HD3' ' HA ' ' A' ' 843' ' ' ARG . 0.0 OUTLIER -61.95 -40.55 95.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.749 179.315 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.725 HD13 ' HB3' ' A' ' 821' ' ' ASP . 0.0 OUTLIER -64.29 -41.54 96.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.437 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.671 ' HG3' ' O ' ' A' ' 841' ' ' ALA . 29.2 mtpt -55.57 -48.86 74.12 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -62.13 -45.41 96.11 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.626 -0.715 . . . . 0.0 113.415 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.568 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 17.7 m -73.84 -37.34 48.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 117.321 0.561 . . . . 0.0 111.307 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.476 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 0.9 OUTLIER -68.3 -42.15 79.87 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 177.377 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.27 -26.89 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.998 0.428 . . . . 0.0 110.486 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 850' ' ' MET . . . . . 0.521 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 0.1 OUTLIER -62.87 -45.04 94.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.264 177.114 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 810' ' ' TYR . 0.0 OUTLIER -85.77 -7.66 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.556 176.222 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.91 39.16 0.67 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.92 0.867 . . . . 0.0 110.461 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.561 ' HG ' HD11 ' A' ' 851' ' ' LEU . 1.4 mt -85.43 75.03 10.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.418 175.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.753 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 21.2 t -50.35 -58.59 9.31 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -173.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.753 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 51.8 Cg_exo -56.25 -43.13 59.01 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.205 1.937 . . . . 0.0 112.674 -177.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.02 -45.91 78.18 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.812 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 861' ' ' GLU . 0.0 OUTLIER -63.2 -41.23 99.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.497 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -58.12 -40.71 81.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.617 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.43 -42.56 92.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.012 176.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 22.6 m -66.75 -35.09 79.29 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.736 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . 0.617 ' HG2' ' HE3' ' A' ' 845' ' ' LYS . 8.1 mt-10 -66.21 -48.92 69.04 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.39 0.614 . . . . 0.0 110.168 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 862' ' ' THR . . . . . 0.587 ' HB ' ' HE2' ' A' ' 878' ' ' TYR . 1.9 m -63.68 -31.85 73.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.298 176.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -42.19 99.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.337 175.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -57.84 -44.62 86.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.971 0.415 . . . . 0.0 110.013 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.44 -46.98 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.006 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 866' ' ' LEU . 67.1 mt -61.71 -31.97 72.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.598 0.237 . . . . 0.0 111.084 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 22.1 mt -72.98 -41.74 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.43 -30.89 71.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.362 177.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 4.3 tt0 -84.05 -20.06 33.33 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.913 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.29 40.58 6.51 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.764 -174.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -83.35 77.78 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.452 -0.794 . . . . 0.0 108.928 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.637 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 2.6 t -49.2 -55.37 21.7 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.818 -173.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.637 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.2 Cg_exo -54.52 -43.63 57.07 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.2 1.933 . . . . 0.0 112.263 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -66.71 -39.16 93.6 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.087 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.513 ' O ' HG13 ' A' ' 879' ' ' ILE . 71.0 mt -57.66 -58.5 5.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.469 0.176 . . . . 0.0 110.895 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 6.8 pt-20 -65.04 -36.97 86.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.991 -176.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -38.21 90.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.886 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.587 ' HE2' ' HB ' ' A' ' 862' ' ' THR . 2.5 m-85 -69.99 -40.71 75.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.663 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 875' ' ' ILE . 20.8 mt -64.6 -30.81 51.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.952 0.406 . . . . 0.0 110.062 175.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 28.1 m -67.65 -37.58 82.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.189 175.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.75 -32.46 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.57 -34.01 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.466 0.651 . . . . 0.0 109.865 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.45 -38.27 71.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.308 -177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 884' ' ' SER . . . . . 0.437 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 3.0 p -73.7 -29.99 62.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.396 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -61.45 -57.39 12.4 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.157 0.979 . . . . 0.0 109.297 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.552 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.9 OUTLIER -58.65 -36.47 60.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 114.062 -1.426 . . . . 0.0 109.734 178.173 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 0.0 OUTLIER -57.85 -43.85 86.16 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.526 177.595 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.19 -18.65 41.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.191 -176.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . 0.54 HD23 ' HB2' ' A' ' 801' ' ' GLU . 85.9 mt -86.81 -15.2 39.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.109 178.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 33.6 mt . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.502 174.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 775' ' ' MET . . . . . 0.702 ' HG2' ' HA ' ' A' ' 779' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.883 0.373 . . . . 0.0 110.824 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.53 -53.85 0.46 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.14 0.495 . . . . 0.0 110.033 177.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -53.87 5.48 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 174.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -90.34 76.17 6.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.217 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.702 ' HA ' ' HG2' ' A' ' 775' ' ' MET . 4.0 p -78.93 -28.15 13.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.187 -175.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . 0.471 ' HB2' ' H ' ' A' ' 781' ' ' GLN . 0.5 OUTLIER 55.43 -101.07 0.12 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.616 178.58 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . 0.471 ' H ' ' HB2' ' A' ' 780' ' ' LEU . 0.6 OUTLIER -116.57 138.38 51.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 111.292 -175.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.918 ' HG ' HG13 ' A' ' 783' ' ' ILE . 1.2 pt? -64.15 -42.5 96.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.058 174.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.918 HG13 ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -157.46 -136.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.195 174.403 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.511 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 3.2 mp0 -101.31 -19.46 15.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.051 0.453 . . . . 0.0 110.547 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.542 HG22 HD11 ' A' ' 783' ' ' ILE . 0.1 OUTLIER -103.87 78.03 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -176.654 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -76.81 56.53 1.19 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.859 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . 0.464 ' HB3' ' H ' ' A' ' 788' ' ' ALA . 0.3 OUTLIER -176.21 -95.24 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.408 178.716 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . 0.464 ' H ' ' HB3' ' A' ' 787' ' ' LEU . . . -167.57 142.67 3.86 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.536 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . 0.402 ' HB3' ' H ' ' A' ' 790' ' ' GLU . 0.0 OUTLIER -116.93 -109.04 0.36 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 173.404 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.402 ' H ' ' HB3' ' A' ' 789' ' ' GLN . 8.3 mp0 -107.14 -170.04 1.64 Allowed 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 171.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -148.5 138.61 22.43 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . 0.409 ' H ' HG21 ' A' ' 792' ' ' VAL . 0.0 OUTLIER -90.35 57.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.147 0.499 . . . . 0.0 110.278 177.335 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.9 -46.36 45.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.456 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 49.04 -137.16 1.0 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.996 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 795' ' ' SER . . . . . 0.58 ' HB2' ' HD3' ' A' ' 796' ' ' PRO . 0.5 OUTLIER -121.27 -55.8 0.03 OUTLIER Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.892 171.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.58 ' HD3' ' HB2' ' A' ' 795' ' ' SER . 89.9 Cg_endo -99.16 -162.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 122.684 2.256 . . . . 0.0 111.257 171.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . 0.554 HD12 ' HG2' ' A' ' 801' ' ' GLU . 4.6 mt -91.92 -17.24 25.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.255 0.55 . . . . 0.0 109.938 175.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 83.25 -65.28 4.16 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.877 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 160.13 164.77 15.78 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 61.46 49.18 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.383 0.611 . . . . 0.0 110.596 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.554 ' HG2' HD12 ' A' ' 797' ' ' LEU . 56.2 mp0 -63.44 -34.94 78.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.758 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . 0.627 ' HA ' HD21 ' A' ' 805' ' ' LEU . 15.0 p-10 -65.18 -32.76 74.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.534 176.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -73.05 -37.87 66.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.915 0.388 . . . . 0.0 110.245 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -47.05 82.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.556 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.627 HD21 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -67.09 -31.55 72.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.418 178.679 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 802' ' ' ASN . 3.5 t-160 -67.43 -40.42 85.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.655 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -74.17 -40.19 62.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.53 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 11.7 m -76.17 3.62 10.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 75.49 20.18 78.77 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.94 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . 0.598 ' HB3' HD21 ' A' ' 851' ' ' LEU . 12.4 m-85 -85.0 -12.58 52.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.81 0.338 . . . . 0.0 110.799 -178.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.95 -30.04 70.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.914 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -61.33 -36.0 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.063 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 2.4 mp -85.3 -35.07 21.72 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.363 0.601 . . . . 0.0 110.234 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.434 ' HZ ' HD11 ' A' ' 889' ' ' LEU . 5.9 t80 -56.03 -58.99 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.021 -176.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 27.5 m -82.86 3.01 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.937 0.399 . . . . 0.0 111.348 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . 0.583 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 3.2 t70 -96.05 -57.23 2.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.682 -175.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.3 t -106.54 -30.72 8.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . . . . . . . . . 94.4 t -58.89 -59.18 14.62 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -171.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.722 ' HA ' HG23 ' A' ' 822' ' ' VAL . 30.4 Cg_endo -64.53 -29.84 61.51 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.743 1.629 . . . . 0.0 112.821 -178.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.12 -40.95 67.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.116 0.484 . . . . 0.0 109.939 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.56 -43.13 77.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.828 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . 0.722 HG23 ' HA ' ' A' ' 819' ' ' PRO . 34.7 m -67.75 -31.6 53.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.695 0.283 . . . . 0.0 111.157 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.4 ' N ' HG21 ' A' ' 822' ' ' VAL . 4.7 mtmm -65.45 -45.96 81.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 11.3 mtp180 -64.47 -37.25 86.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.356 176.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.483 ' HG ' HG23 ' A' ' 840' ' ' THR . 0.8 OUTLIER -54.61 -45.74 73.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.156 175.035 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -37.53 87.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.425 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.1 m -65.32 -46.64 79.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.7 mm-40 -71.14 -25.66 62.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.946 0.403 . . . . 0.0 110.471 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.36 84.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.361 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.26 -24.66 65.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.282 0.563 . . . . 0.0 110.511 175.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 18.9 m -81.15 -11.53 59.43 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.004 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.49 29.02 17.04 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.355 0.662 . . . . 0.0 110.476 -179.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -86.87 78.88 8.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.604 0.716 . . . . 0.0 109.755 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.574 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 61.1 m-85 -60.37 -23.84 64.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.187 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.89 85.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.208 0.528 . . . . 0.0 110.1 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.73 58.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.716 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.574 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.1 OUTLIER -57.09 -51.14 70.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.031 175.244 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.0 91.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.165 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -47.61 85.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.659 0.266 . . . . 0.0 111.655 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.483 HG23 ' HG ' ' A' ' 825' ' ' LEU . 1.6 m -72.68 -24.96 61.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.741 0.305 . . . . 0.0 111.119 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.25 86.51 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -61.71 -44.34 97.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.473 ' O ' HG23 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -55.23 -51.44 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.668 177.456 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.415 ' HA ' HG23 ' A' ' 847' ' ' VAL . 1.1 mm? -67.38 -39.63 85.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.977 -176.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -61.54 -45.01 95.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.124 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.86 -47.17 68.14 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.852 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.696 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 16.9 m -66.17 -40.72 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 117.225 0.512 . . . . 0.0 111.526 -177.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.406 ' N ' HG21 ' A' ' 847' ' ' VAL . 1.4 m-30 -65.75 -45.8 81.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.01 70.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.235 0.541 . . . . 0.0 110.338 176.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -43.33 76.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.615 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 8.9 mt -77.88 -6.03 52.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.565 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.588 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 2.0 m-80 85.75 9.48 0.3 Allowed 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.1 0.875 . . . . 0.0 110.402 175.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 853' ' ' LEU . 15.5 mt -78.23 81.21 4.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.622 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.46 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 9.6 t -56.67 -56.33 33.69 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.233 -178.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.509 ' HG2' ' OH ' ' A' ' 885' ' ' TYR . 10.5 Cg_endo -56.33 -37.72 96.42 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.323 2.015 . . . . 0.0 113.02 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.48 -50.58 54.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.575 -0.822 . . . . 0.0 111.416 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -38.85 77.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . 0.44 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 1.2 tt0 -55.66 -41.8 74.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.837 176.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.2 -44.86 94.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.998 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 3.6 m -62.43 -36.76 83.4 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.951 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . 0.44 ' HG3' ' HA ' ' A' ' 858' ' ' GLN . 2.0 mt-10 -62.97 -51.54 66.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.09 0.471 . . . . 0.0 110.553 178.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 862' ' ' THR . . . . . 0.511 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -62.22 -33.29 74.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.77 177.757 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.445 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -61.97 -42.67 99.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.214 175.881 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -59.46 -42.09 91.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.15 -33.6 76.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.483 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . 0.427 HD23 ' HA3' ' A' ' 874' ' ' GLY . 30.7 mt -72.01 -34.14 68.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.727 0.299 . . . . 0.0 110.519 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.532 HG13 HD13 ' A' ' 875' ' ' ILE . 11.7 mt -67.3 -45.18 86.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.992 175.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.621 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -60.15 -37.94 81.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.377 177.569 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.621 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.2 OUTLIER -82.27 -13.2 57.4 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.992 -176.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp 65.01 44.66 3.35 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.279 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . 0.569 ' O ' HG12 ' A' ' 875' ' ' ILE . 6.0 t70 -100.5 93.09 5.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.394 177.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.649 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 4.1 t -54.11 -52.85 64.9 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.898 -178.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.649 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.4 Cg_exo -54.53 -39.41 88.34 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.234 1.956 . . . . 0.0 112.467 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . 0.427 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -62.46 -40.35 98.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.993 176.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.645 HG21 HD13 ' A' ' 879' ' ' ILE . 43.9 mm -58.4 -53.15 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.443 0.163 . . . . 0.0 110.82 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -39.5 87.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.599 0.238 . . . . 0.0 110.878 -178.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -66.22 -44.05 84.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.179 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.511 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 2.4 m-85 -75.44 -32.39 60.66 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.303 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.645 HD13 HG21 ' A' ' 875' ' ' ILE . 70.8 mt -67.41 -39.11 82.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.255 175.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.2 p -70.12 -30.8 68.09 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.273 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -36.19 72.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.116 0.484 . . . . 0.0 110.351 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -32.53 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.831 173.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 1.1 t70 -73.29 -45.98 52.39 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.574 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 9.9 p -64.16 -30.4 71.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.11 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . 0.509 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 26.2 t80 -60.37 -58.19 9.55 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 122.023 0.916 . . . . 0.0 109.749 174.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.7 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.5 OUTLIER -66.49 -35.67 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.414 -177.246 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 0.5 OUTLIER -55.23 -47.62 75.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.181 176.16 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 3.5 m -70.89 -31.38 68.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . 0.434 HD11 ' HZ ' ' A' ' 814' ' ' PHE . 38.3 mt -69.9 -53.01 19.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.902 -178.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.335 -0.841 . . . . 0.0 110.794 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 775' ' ' MET . . . . . 0.426 ' HG3' ' N ' ' A' ' 776' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 110.44 -0.208 . . . . 0.0 110.44 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . 0.426 ' N ' ' HG3' ' A' ' 775' ' ' MET . 0.0 OUTLIER 63.03 47.18 4.35 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.591 0.557 . . . . 0.0 111.563 176.499 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 170.78 -56.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -129.16 100.71 5.72 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.409 -1.269 . . . . 0.0 108.36 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.818 HG11 ' H ' ' A' ' 780' ' ' LEU . 2.1 p -52.74 -71.87 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.204 -177.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . 0.818 ' H ' HG11 ' A' ' 779' ' ' VAL . 0.1 OUTLIER -169.52 -80.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.559 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . 0.589 ' H ' HD13 ' A' ' 780' ' ' LEU . 7.1 mp0 -142.84 145.88 33.6 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.641 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 1.1 pt? -63.77 -50.22 69.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.451 0.643 . . . . 0.0 109.527 175.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.641 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -149.72 -90.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 173.6 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.43 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 4.5 mt-10 -151.46 -69.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.113 172.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.467 HG13 ' HB2' ' A' ' 788' ' ' ALA . 0.0 OUTLIER -140.48 86.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.302 176.07 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -75.48 -64.91 0.97 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.07 -176.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.56 45.79 0.97 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.073 0.463 . . . . 0.0 109.95 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . 0.467 ' HB2' HG13 ' A' ' 785' ' ' VAL . . . -161.02 172.88 16.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.342 -178.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 58.45 49.83 10.19 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.64 0.587 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.39 -171.51 2.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.138 178.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -179.17 114.27 0.06 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.434 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 2.6 p -110.86 115.29 49.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.567 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.19 117.91 9.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . 0.484 ' O ' ' HD3' ' A' ' 796' ' ' PRO . 0.0 OUTLIER -78.64 130.46 35.9 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 176.692 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.61 101.2 34.93 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-O 120.879 0.371 . . . . 0.0 111.037 -176.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.484 ' HD3' ' O ' ' A' ' 794' ' ' GLU . 5.2 Cg_exo -79.71 45.13 1.86 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 123.347 2.698 . . . . 0.0 111.837 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 2.3 mt 70.86 -52.78 0.67 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.623 0.769 . . . . 0.0 111.738 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 75.38 10.43 84.47 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.278 -0.487 . . . . 0.0 112.624 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 97.82 21.79 17.7 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.031 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . 0.464 ' CG ' ' HB1' ' A' ' 803' ' ' ALA . 2.3 t0 -144.95 91.79 2.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.039 0.447 . . . . 0.0 110.972 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -66.68 -46.48 75.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.673 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.11 -44.28 97.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.257 -177.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . 0.464 ' HB1' ' CG ' ' A' ' 800' ' ' ASP . . . -64.13 -44.86 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.017 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -62.52 -41.85 99.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.775 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 814' ' ' PHE . 2.0 tp -65.42 -33.88 76.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.689 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -76.58 -36.21 57.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.29 80.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.484 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.37 -13.22 59.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 110.789 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 75.52 16.82 80.4 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.777 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -92.83 10.0 32.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.022 0.439 . . . . 0.0 110.846 -177.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -33.87 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.359 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -62.27 -43.51 98.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.836 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -36.1 77.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.123 0.487 . . . . 0.0 110.314 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.525 ' HB2' HD13 ' A' ' 805' ' ' LEU . 46.3 t80 -60.0 -46.92 87.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.985 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 23.3 m -87.46 -0.2 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 111.609 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 9.9 t70 -95.62 -63.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.186 0.517 . . . . 0.0 110.615 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 4.0 m -79.17 -49.33 12.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.654 -172.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.786 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 39.8 t -56.68 -61.18 7.31 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -168.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.786 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.9 Cg_exo -59.72 -40.65 62.43 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.771 1.647 . . . . 0.0 112.144 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.99 -51.36 59.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.994 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.6 -32.82 72.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.727 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 2.2 t -63.14 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.402 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -65.11 -41.56 94.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.391 176.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.1 OUTLIER -65.54 -37.36 86.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.796 0.332 . . . . 0.0 110.114 176.4 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -44.33 83.16 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.904 174.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -56.87 -44.83 82.63 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.463 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 4.2 m -61.92 -45.64 92.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.229 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 5.3 mm-40 -79.64 -25.74 41.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.403 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.15 88.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.587 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.73 -24.43 65.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.259 0.552 . . . . 0.0 110.669 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 45.6 m -83.17 -14.42 53.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.861 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.91 31.99 8.9 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.529 0.681 . . . . 0.0 110.122 -176.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -88.24 74.25 8.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.451 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 75.8 m-85 -62.53 -26.73 68.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.483 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.66 98.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.303 0.573 . . . . 0.0 109.783 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.12 -36.02 61.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.627 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.5 OUTLIER -60.49 -44.36 96.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.401 176.592 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.47 94.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.51 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -58.7 -47.67 83.73 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.16 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -38.95 68.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.868 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.35 78.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.777 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -69.31 -42.32 75.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -48.49 81.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.318 177.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.541 ' HA ' HG23 ' A' ' 847' ' ' VAL . 8.2 mt -66.01 -44.06 85.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.673 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.488 ' HZ2' ' HA ' ' A' ' 861' ' ' GLU . 27.5 ttmt -54.08 -47.35 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.204 177.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -65.42 -48.52 68.04 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.86 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.747 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 27.3 m -65.61 -44.04 93.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.96 0.38 . . . . 0.0 111.391 -176.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.499 ' N ' HG21 ' A' ' 847' ' ' VAL . 12.4 m-85 -62.36 -41.07 98.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.3 . . . . 0.0 110.333 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.43 96.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.84 176.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -35.68 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.829 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.747 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 19.8 mt -80.48 -11.04 59.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.65 0.262 . . . . 0.0 110.479 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.77 26.65 2.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.626 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.509 HD21 ' HE2' ' A' ' 885' ' ' TYR . 0.4 OUTLIER -87.13 84.34 7.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.56 177.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.657 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 1.8 t -53.39 -59.32 9.62 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -173.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.657 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 32.3 Cg_exo -58.58 -40.02 77.66 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.043 1.829 . . . . 0.0 112.194 -177.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -64.25 -45.13 94.4 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.925 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -36.03 82.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 109.988 178.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -59.75 -44.6 93.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.327 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 863' ' ' LEU . 12.3 mt -59.49 -43.46 93.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.315 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 39.3 m -64.82 -30.39 71.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.045 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . 0.488 ' HA ' ' HZ2' ' A' ' 845' ' ' LYS . 9.7 mm-40 -66.07 -53.86 32.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.526 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 862' ' ' THR . . . . . 0.492 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -64.83 -38.84 92.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.847 178.788 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.572 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.5 OUTLIER -57.94 -49.39 76.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.734 0.302 . . . . 0.0 110.548 177.031 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -45.62 75.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.535 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . 0.438 ' O ' ' HG2' ' A' ' 869' ' ' GLU . 3.1 t60 -64.62 -38.18 90.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.688 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . 0.646 HD23 ' HA3' ' A' ' 874' ' ' GLY . 12.9 mt -66.98 -30.31 70.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.889 0.376 . . . . 0.0 110.763 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.677 ' HA ' HD12 ' A' ' 875' ' ' ILE . 33.5 mt -73.66 -39.26 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.515 ' HD2' ' OE2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.3 -36.39 81.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.391 177.482 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.515 ' OE2' ' HD2' ' A' ' 868' ' ' ARG . 77.3 mm-40 -79.52 -10.56 59.82 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.37 177.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm 61.82 42.87 10.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.992 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.58 94.57 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.86 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.489 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.3 t -55.77 -53.94 57.34 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.597 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 9.9 Cg_endo -52.45 -45.02 42.65 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.42 2.08 . . . . 0.0 112.768 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . 0.646 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -62.93 -43.95 98.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.933 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 867' ' ' ILE . 59.1 mt -59.38 -48.26 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.624 0.249 . . . . 0.0 110.626 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -57.64 -52.35 65.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.295 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -58.64 -43.33 89.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.168 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.572 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 8.4 m-85 -71.09 -38.17 72.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.798 -176.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.87 -45.36 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.412 . . . . 0.0 109.915 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 10.6 m -65.97 -29.26 69.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.13 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -32.24 66.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.039 0.447 . . . . 0.0 110.256 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . 0.514 HD13 HD11 ' A' ' 863' ' ' LEU . 17.7 mt -73.32 -32.7 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.215 0.531 . . . . 0.0 109.948 173.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.79 -41.96 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.2 p -70.06 -30.5 67.77 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.042 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . 0.509 ' HE2' HD21 ' A' ' 853' ' ' LEU . 16.9 t80 -59.55 -58.57 8.01 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.838 0.827 . . . . 0.0 110.312 177.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.544 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 8.3 p -68.5 -31.83 52.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.915 -174.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -65.3 -39.23 92.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.01 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 5.4 p -83.52 -19.61 35.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.941 0.401 . . . . 0.0 110.842 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.26 -11.34 38.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.56 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 24.5 mt . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.574 -0.727 . . . . 0.0 111.015 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 775' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 775' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 121.534 0.683 . . . . 0.0 110.542 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.47 -30.84 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.036 -0.415 . . . . 0.0 111.996 -174.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -101.95 9.78 40.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.09 0.472 . . . . 0.0 111.588 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -147.39 -67.42 0.26 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.445 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.41 HG11 HD22 ' A' ' 780' ' ' LEU . 3.5 t 60.97 -97.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.273 -176.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . 0.41 HD22 HG11 ' A' ' 779' ' ' VAL . 0.3 OUTLIER -161.28 -69.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 176.724 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -165.47 176.58 8.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 174.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.814 ' HG ' HG12 ' A' ' 783' ' ' ILE . 15.2 tp -103.9 -72.88 0.69 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.814 HG12 ' HG ' ' A' ' 782' ' ' LEU . 2.1 pt -146.67 31.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.483 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.495 ' HB3' ' O ' ' A' ' 783' ' ' ILE . 1.5 tt0 76.77 -53.61 0.58 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.793 -177.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.11 85.7 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . 0.444 ' HG2' HD21 ' A' ' 782' ' ' LEU . 2.9 mt-30 -49.2 -47.96 45.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.644 -1.162 . . . . 0.0 112.728 -173.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 10.0 tp -105.21 -62.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.502 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -159.02 173.01 17.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.14 0.495 . . . . 0.0 111.698 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . 0.403 ' HG2' ' N ' ' A' ' 790' ' ' GLU . 0.2 OUTLIER -137.7 144.92 41.99 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.088 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.403 ' N ' ' HG2' ' A' ' 789' ' ' GLN . 0.0 OUTLIER -63.01 178.02 0.52 Allowed 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.617 0.722 . . . . 0.0 111.79 -178.524 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.56 -123.55 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.676 -174.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . 0.462 ' H ' HG21 ' A' ' 792' ' ' VAL . 0.0 OUTLIER -62.99 121.34 11.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.364 0.602 . . . . 0.0 112.099 -174.514 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.48 137.71 53.0 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . 0.473 ' CD ' ' H ' ' A' ' 794' ' ' GLU . 2.1 mp0 -48.85 122.34 5.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 123.71 0.631 . . . . 0.0 111.044 -178.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 795' ' ' SER . . . . . 0.594 ' H ' ' HD2' ' A' ' 796' ' ' PRO . 0.0 OUTLIER -123.89 -52.1 0.03 OUTLIER Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.277 -175.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.594 ' HD2' ' H ' ' A' ' 795' ' ' SER . 92.5 Cg_endo -77.36 175.8 10.86 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.146 1.897 . . . . 0.0 112.954 -177.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . 0.521 ' HA ' ' HB2' ' A' ' 804' ' ' GLN . 0.7 OUTLIER -66.8 -43.3 84.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.119 177.372 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 74.78 -81.83 0.86 Allowed Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.102 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -160.15 26.15 0.31 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -153.27 102.81 2.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.212 0.53 . . . . 0.0 110.026 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.568 ' HG3' HD13 ' A' ' 889' ' ' LEU . 0.0 OUTLIER -64.65 -47.02 80.02 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.592 -178.42 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.27 -47.09 79.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.663 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . 0.575 ' HA ' ' CD2' ' A' ' 806' ' ' HIS . . . -58.68 -49.91 75.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.172 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . 0.521 ' HB2' ' HA ' ' A' ' 797' ' ' LEU . 0.0 OUTLIER -60.43 -43.95 96.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.946 0.403 . . . . 0.0 110.213 178.554 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.752 HD12 ' HB2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -62.19 -45.21 94.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.03 -175.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 803' ' ' ALA . 2.3 p80 -80.09 -15.56 56.89 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.915 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.74 75.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.699 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -18.74 59.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.019 0.438 . . . . 0.0 110.83 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 89.05 32.31 10.89 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.288 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . 0.558 ' HB3' HD21 ' A' ' 851' ' ' LEU . 15.6 m-85 -100.53 11.05 40.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.815 0.341 . . . . 0.0 110.779 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.456 ' HD1' ' HA ' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -57.37 -41.68 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.876 -178.444 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.8 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.504 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -31.18 62.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.417 . . . . 0.0 110.487 -177.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.752 ' HB2' HD12 ' A' ' 805' ' ' LEU . 33.9 t80 -61.41 -52.58 64.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.002 -178.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.8 m -80.22 -2.12 5.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.844 0.354 . . . . 0.0 111.425 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -93.26 -65.37 1.0 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.045 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' THR . . . . . 0.653 HG21 ' N ' ' A' ' 818' ' ' VAL . 0.6 OUTLIER -81.07 -41.94 21.81 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -169.794 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.793 HG13 HG23 ' A' ' 886' ' ' VAL . 6.7 t -63.43 -57.76 18.64 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -168.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.657 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.4 Cg_exo -53.89 -42.8 63.63 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.162 1.908 . . . . 0.0 112.966 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.19 -27.28 30.12 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.672 -175.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.91 -38.42 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.56 -38.91 83.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.776 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 826' ' ' TYR . 0.1 OUTLIER -54.83 -49.36 71.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.529 172.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -39.59 94.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.431 ' HG ' ' HB ' ' A' ' 840' ' ' THR . 0.6 OUTLIER -55.05 -43.59 73.92 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.12 0.486 . . . . 0.0 109.817 174.171 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 823' ' ' LYS . 3.9 m-85 -60.51 -42.7 96.94 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.571 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 1.9 m -70.41 -45.06 66.65 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.463 -176.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.84 -28.02 62.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.497 -177.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.99 91.64 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.47 91.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.155 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.75 -9.09 59.6 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.871 0.367 . . . . 0.0 111.286 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.5 m 64.96 28.89 12.51 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.587 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -85.65 75.11 10.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 173.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -61.53 -29.85 70.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.124 -174.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.1 95.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.136 0.493 . . . . 0.0 109.879 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.47 -36.15 53.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.817 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.452 ' HB3' HG22 ' A' ' 867' ' ' ILE . 16.7 tp -56.33 -48.04 77.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.295 176.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.21 85.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.664 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -60.29 -45.99 91.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.431 ' HB ' ' HG ' ' A' ' 825' ' ' LEU . 0.2 OUTLIER -65.81 -35.19 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.333 . . . . 0.0 111.066 177.394 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . 0.463 ' HB2' ' HG3' ' A' ' 864' ' ' GLU . . . -65.34 -34.72 78.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.99 0.424 . . . . 0.0 110.212 175.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . 0.526 ' HA ' ' CD ' ' A' ' 845' ' ' LYS . 1.8 t60 -66.83 -40.91 88.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.226 175.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -47.46 85.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.968 175.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 3.0 mt -62.15 -48.96 77.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.613 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.526 ' CD ' ' HA ' ' A' ' 842' ' ' HIS . 7.6 ptmt -62.28 -31.06 71.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.56 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -71.16 -48.8 30.0 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.415 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.693 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 13.4 m -67.89 -40.64 83.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.66 0.23 . . . . 0.0 111.103 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.408 ' HD1' ' CB ' ' A' ' 853' ' ' LEU . 13.2 m-85 -60.66 -46.73 89.24 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.69 76.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.974 0.416 . . . . 0.0 110.895 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.3 ttt -67.16 -43.66 81.7 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 8.6 mt -78.71 -8.47 58.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.675 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 78.9 26.04 0.48 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.948 0.78 . . . . 0.0 110.391 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.433 HD23 HD22 ' A' ' 889' ' ' LEU . 77.9 mt -88.66 78.62 7.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.434 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.511 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.3 OUTLIER -54.09 -56.56 24.71 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 115.181 -0.918 . . . . 0.0 113.196 -172.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.511 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 49.6 Cg_exo -56.43 -41.87 71.6 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.048 1.832 . . . . 0.0 112.231 -178.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 859' ' ' LEU . . . -63.31 -45.48 95.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.966 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -63.23 -39.31 94.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.738 0.304 . . . . 0.0 110.428 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -43.64 95.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.422 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.427 HD13 ' HA2' ' A' ' 856' ' ' GLY . 31.4 mt -60.21 -41.74 93.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 863' ' ' LEU . 35.5 m -68.87 -25.69 64.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.321 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . 0.446 ' HA ' ' HZ3' ' A' ' 845' ' ' LYS . 8.8 mm-40 -65.66 -53.44 41.15 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.229 0.538 . . . . 0.0 109.651 175.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -37.39 86.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.829 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.501 HD21 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -54.05 -53.03 58.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.653 176.468 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . 0.463 ' HG3' ' HB2' ' A' ' 841' ' ' ALA . 0.9 OUTLIER -56.35 -42.99 78.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.571 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -59.27 -44.64 92.44 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 15.1 mt -66.77 -32.39 73.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.452 HG22 ' HB3' ' A' ' 837' ' ' LEU . 32.6 mt -77.19 -36.73 24.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.552 0.692 . . . . 0.0 109.255 -178.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.02 -36.75 85.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.708 178.044 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 21.2 pt-20 -90.25 -1.93 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.051 0.453 . . . . 0.0 110.635 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.36 43.4 13.51 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.923 176.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -94.08 92.57 7.37 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.654 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 17.6 t -55.47 -54.63 48.98 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.471 -174.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.654 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 55.6 Cg_exo -52.93 -45.17 42.83 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.443 2.096 . . . . 0.0 112.695 -178.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -66.68 -38.24 93.05 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.137 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 879' ' ' ILE . 65.5 mt -57.46 -58.37 6.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.527 0.203 . . . . 0.0 110.75 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -34.96 79.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.861 -177.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -47.84 83.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.656 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -71.13 -37.67 72.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.833 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 875' ' ' ILE . 55.1 mt -62.39 -44.48 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.851 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 22.3 p -68.8 -30.9 69.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.753 0.311 . . . . 0.0 110.407 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -38.79 71.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.573 177.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 67.8 mt -65.27 -33.09 61.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.476 0.655 . . . . 0.0 109.878 173.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . 0.549 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 4.5 t70 -71.8 -48.1 48.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.354 -177.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 7.4 p -66.4 -33.19 75.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.11 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 50.9 t80 -51.81 -57.28 9.76 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.382 1.087 . . . . 0.0 109.386 173.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.793 HG23 HG13 ' A' ' 818' ' ' VAL . 1.1 t -65.21 -31.72 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 CA-C-N 113.041 -1.89 . . . . 0.0 110.895 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 6.8 mmtp -56.97 -48.67 77.84 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.775 176.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -26.39 60.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . 0.568 HD13 ' HG3' ' A' ' 801' ' ' GLU . 0.2 OUTLIER -79.2 -16.13 57.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.762 -178.455 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 56.6 mt . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.835 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.897 0.38 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . 0.488 ' OE1' ' HA ' ' A' ' 776' ' ' GLN . 0.7 OUTLIER -164.94 128.97 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.175 175.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 73.11 19.09 3.72 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.276 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -166.3 -52.71 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.844 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.467 HG13 ' HG ' ' A' ' 780' ' ' LEU . 46.0 t 67.52 -82.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.426 175.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . 0.467 ' HG ' HG13 ' A' ' 779' ' ' VAL . 10.6 mt -120.59 107.61 13.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.61 0.243 . . . . 0.0 110.419 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . 0.417 ' HB2' ' H ' ' A' ' 782' ' ' LEU . 0.2 OUTLIER 56.35 -111.43 0.62 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.137 177.292 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.742 ' HG ' ' N ' ' A' ' 783' ' ' ILE . 0.3 OUTLIER 171.82 -38.84 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 -172.03 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.742 ' N ' ' HG ' ' A' ' 782' ' ' LEU . 1.2 tt -170.17 -179.56 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.406 -2.675 0 CA-C-N 112.512 -2.131 . . . . 0.0 105.557 -176.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.475 ' H ' ' HG2' ' A' ' 784' ' ' GLU . 0.0 OUTLIER -81.47 -71.68 0.46 Allowed 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -177.307 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 75.5 t -145.91 94.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 787' ' ' LEU . 8.4 pm0 -76.75 139.63 40.49 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.59 -176.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 786' ' ' GLN . 0.0 OUTLIER 77.38 -47.49 0.5 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.364 172.423 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -77.96 -3.15 40.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -173.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -83.76 41.24 0.78 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -145.83 138.37 25.63 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 175.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.65 162.71 27.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.15 -177.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.96 155.53 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.759 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 13.5 t -136.01 125.79 25.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.098 0.475 . . . . 0.0 111.067 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.54 139.84 5.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.23 175.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 795' ' ' SER . . . . . 0.414 ' N ' ' HD3' ' A' ' 796' ' ' PRO . 0.0 OUTLIER -148.47 65.4 8.53 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.601 175.619 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 795' ' ' SER . 86.9 Cg_endo -98.31 -148.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.362 2.708 . . . . 0.0 111.729 178.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.94 97.83 1.92 Allowed 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 174.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -122.4 41.57 1.8 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.824 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 108.15 -18.6 33.4 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.183 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -125.63 98.8 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.153 0.501 . . . . 0.0 110.406 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -74.85 -33.6 62.14 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.643 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . 0.67 ' HA ' HD21 ' A' ' 805' ' ' LEU . 0.2 OUTLIER -61.64 -43.24 99.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.48 179.575 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.79 88.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.003 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -41.21 78.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.67 HD21 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -62.88 -31.92 73.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.267 0.556 . . . . 0.0 110.343 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -43.28 76.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.454 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -69.07 -26.52 64.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.851 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.84 -11.77 56.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.432 . . . . 0.0 110.944 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 80.49 13.95 80.84 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.398 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . 0.453 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.1 OUTLIER -89.81 -0.28 57.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.146 0.498 . . . . 0.0 110.118 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.57 ' HD1' HD22 ' A' ' 805' ' ' LEU . 59.5 t80 -64.33 -24.31 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.764 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -61.64 -48.65 79.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.004 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -39.59 94.74 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.215 0.531 . . . . 0.0 110.186 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.43 -48.33 71.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.505 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 34.8 m -93.57 12.02 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.976 0.417 . . . . 0.0 111.435 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -106.59 -59.11 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.68 -40.33 10.79 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.614 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 21.5 t -59.78 -55.52 44.92 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -169.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.614 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.4 Cg_exo -55.7 -49.14 16.8 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.852 1.701 . . . . 0.0 112.648 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 824' ' ' ARG . 26.1 t70 -61.19 -39.78 91.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.874 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.83 -32.21 63.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.464 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 11.5 t -61.8 -51.04 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.812 0.339 . . . . 0.0 110.197 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 820' ' ' ASP . 0.9 OUTLIER -70.58 -25.32 63.02 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.15 177.832 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.583 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -65.44 -46.49 79.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.873 174.145 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.498 HD22 ' HB ' ' A' ' 840' ' ' THR . 5.9 mt -56.01 -42.64 76.76 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.258 176.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -58.98 -40.7 85.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.591 175.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 19.7 m -66.17 -45.12 82.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.875 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 5.0 mm-40 -66.2 -33.32 75.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.398 . . . . 0.0 110.329 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.48 73.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.497 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.53 90.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.264 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.29 -4.41 41.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.284 177.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 56.46 32.15 20.18 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.572 0.749 . . . . 0.0 110.225 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -92.76 76.03 4.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.554 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.617 ' HA ' HD11 ' A' ' 837' ' ' LEU . 86.1 m-85 -58.31 -29.04 65.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.88 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.33 88.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.329 0.585 . . . . 0.0 110.164 176.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.72 -36.49 50.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.617 HD11 ' HA ' ' A' ' 834' ' ' PHE . 0.7 OUTLIER -55.1 -48.35 73.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.979 173.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 842' ' ' HIS . . . -63.62 -37.84 88.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.2 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -62.27 -48.21 80.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.904 0.383 . . . . 0.0 110.615 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.498 ' HB ' HD22 ' A' ' 825' ' ' LEU . 2.0 m -63.24 -46.38 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.861 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.61 73.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.996 0.427 . . . . 0.0 111.067 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 845' ' ' LYS . 8.1 t60 -67.92 -39.63 83.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.993 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -32.56 71.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.171 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.512 ' HA ' HG21 ' A' ' 847' ' ' VAL . 7.0 mt -68.17 -39.95 82.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.257 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.542 ' HE2' ' HA ' ' A' ' 861' ' ' GLU . 84.6 mttt -50.12 -53.8 24.96 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.177 0.513 . . . . 0.0 110.021 171.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -59.53 -45.85 94.91 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 114.839 -1.073 . . . . 0.0 113.29 -176.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.652 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 20.2 m -71.13 -38.24 70.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 117.28 0.54 . . . . 0.0 111.663 -176.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.455 ' HA ' HD13 ' A' ' 851' ' ' LEU . 12.7 m-85 -67.84 -42.77 80.89 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -65.44 -29.1 69.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.147 0.499 . . . . 0.0 110.322 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 850' ' ' MET . . . . . 0.426 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 5.0 ttm -64.02 -43.27 96.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.701 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -84.23 -9.46 58.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.389 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.43 35.08 2.07 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.938 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.467 ' HG ' HD11 ' A' ' 851' ' ' LEU . 0.4 OUTLIER -83.67 89.72 7.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.45 -1.25 . . . . 0.0 109.101 175.408 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.737 HG12 ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -58.91 -51.48 81.6 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.486 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.737 ' HD3' HG12 ' A' ' 854' ' ' VAL . 29.4 Cg_exo -61.09 -39.59 58.34 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 121.672 1.581 . . . . 0.0 112.267 -176.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -64.43 -48.45 73.68 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.203 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.45 -35.35 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -57.76 -44.85 86.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.146 0.498 . . . . 0.0 110.364 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 863' ' ' LEU . 19.7 mt -62.22 -43.68 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.481 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 38.8 m -62.92 -33.39 75.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.358 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . 0.542 ' HA ' ' HE2' ' A' ' 845' ' ' LYS . 1.9 mm-40 -67.82 -53.66 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.692 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 862' ' ' THR . . . . . 0.539 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -63.26 -32.61 74.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.958 178.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.635 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -60.34 -48.28 82.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.412 175.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . 0.521 ' HA ' HD11 ' A' ' 867' ' ' ILE . 0.9 OUTLIER -61.47 -34.98 76.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.714 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -63.3 -43.51 97.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.895 0.379 . . . . 0.0 110.231 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 15.0 mt -65.41 -31.15 72.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.915 0.388 . . . . 0.0 110.399 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.538 ' HA ' HD13 ' A' ' 875' ' ' ILE . 57.4 mt -72.04 -41.73 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.534 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -27.89 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.82 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -88.08 -7.05 57.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.286 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.33 37.21 25.94 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.14 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -91.58 86.39 6.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.895 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.537 ' O ' ' HG2' ' A' ' 876' ' ' GLU . 0.7 OUTLIER -52.96 -55.2 35.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.757 -173.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.4 Cg_endo -55.69 -38.14 94.63 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.409 2.073 . . . . 0.0 112.158 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.46 -41.79 90.11 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.615 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.538 HD13 ' HA ' ' A' ' 867' ' ' ILE . 52.7 mt -61.89 -55.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.791 -0.205 . . . . 0.0 110.851 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 6.8 pt-20 -59.82 -38.49 82.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.974 -176.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -37.16 85.29 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.844 0.354 . . . . 0.0 110.747 178.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.635 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -71.65 -34.74 70.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.639 0.257 . . . . 0.0 110.686 179.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 875' ' ' ILE . 50.4 mt -63.6 -41.34 92.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 176.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -28.95 66.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.905 0.383 . . . . 0.0 110.44 178.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.84 -35.92 75.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.456 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . 0.415 ' O ' HG21 ' A' ' 882' ' ' ILE . 7.1 mt -69.97 -33.39 55.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.388 0.614 . . . . 0.0 109.586 172.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -69.85 -43.52 71.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.373 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.8 p -69.98 -36.69 75.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.176 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -54.61 -58.28 8.14 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 122.473 1.13 . . . . 0.0 109.878 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.71 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.0 OUTLIER -68.68 -32.29 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.235 -176.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -55.93 -42.47 76.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.234 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.27 -19.53 24.0 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.37 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -10.56 56.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.58 0.229 . . . . 0.0 111.524 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 86.2 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.505 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 20.7 ptp . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 76.7 -51.67 0.58 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.54 0.736 . . . . 0.0 111.308 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.441 ' H ' ' HG3' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -69.91 -38.66 76.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.324 0.583 . . . . 0.0 109.79 175.461 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -120.09 53.44 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.891 174.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 7.4 p -92.7 143.09 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.623 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.28 173.16 15.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.037 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.27 164.19 16.01 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.715 ' HB3' ' HA ' ' A' ' 786' ' ' GLN . 19.9 tp -83.34 90.3 7.14 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 174.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.603 HG23 ' HG2' ' A' ' 784' ' ' GLU . 3.2 mt 67.39 -71.4 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.218 -173.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.603 ' HG2' HG23 ' A' ' 783' ' ' ILE . 18.4 pt-20 -162.78 -15.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.849 176.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.831 HG13 ' HB2' ' A' ' 789' ' ' GLN . 0.2 OUTLIER -146.32 105.26 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -177.207 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . 0.715 ' HA ' ' HB3' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -75.26 35.0 0.11 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.553 -174.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 786' ' ' GLN . 0.2 OUTLIER 170.36 -82.05 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 123.332 0.653 . . . . 0.0 109.686 178.586 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -174.19 56.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.301 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . 0.831 ' HB2' HG13 ' A' ' 785' ' ' VAL . 9.5 mp0 -66.15 -28.63 68.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.517 -172.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -132.83 169.57 16.54 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.706 0.765 . . . . 0.0 111.506 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -145.74 -165.12 2.11 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.074 -1.421 . . . . 0.0 107.424 176.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.78 119.74 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 169.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.58 38.69 3.56 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.423 0.63 . . . . 0.0 110.721 -178.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -123.32 -62.08 1.36 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.82 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 53.23 71.06 1.52 Allowed Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.68 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.47 -28.44 77.86 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.462 2.108 . . . . 0.0 111.378 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.69 64.66 1.42 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.221 176.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -83.17 54.89 5.01 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.229 -176.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -111.41 -111.18 3.21 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.858 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -106.11 -23.91 12.49 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -172.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.524 ' H ' ' HG2' ' A' ' 801' ' ' GLU . 0.0 OUTLIER -48.79 -57.11 6.86 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -172.776 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -72.73 -43.17 63.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -176.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.16 84.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.518 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.63 -47.47 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.83 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.551 ' HA ' ' HE1' ' A' ' 810' ' ' TYR . 0.0 OUTLIER -62.04 -36.49 81.75 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -177.715 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -71.53 -40.85 69.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.758 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.63 86.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.578 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 12.6 m -68.5 -19.76 64.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 111.133 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 93.66 -2.01 69.53 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.689 -0.767 . . . . 0.0 114.473 168.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . 0.551 ' HE1' ' HA ' ' A' ' 805' ' ' LEU . 0.2 OUTLIER -91.05 39.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.885 0.842 . . . . 0.0 110.958 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.407 ' CE1' HD22 ' A' ' 805' ' ' LEU . 21.7 t80 -67.22 -26.93 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.405 178.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.22 77.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.196 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . 0.444 HD21 ' HA ' ' A' ' 813' ' ' LEU . 18.9 mt -59.34 -32.0 69.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.09 -177.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.541 ' HB2' HD12 ' A' ' 805' ' ' LEU . 30.9 t80 -63.47 -30.94 71.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.847 -176.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.44 -25.13 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.517 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.25 -52.02 10.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.284 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.76 -46.81 4.81 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 -172.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.688 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 95.0 t -53.83 -56.82 21.42 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -172.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.688 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 38.8 Cg_exo -61.65 -33.73 85.71 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.209 1.94 . . . . 0.0 111.977 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -70.09 -38.91 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.2 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -37.55 82.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.627 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 92.2 t -62.8 -43.37 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.154 0.502 . . . . 0.0 109.813 174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.437 ' HE3' ' HB3' ' A' ' 823' ' ' LYS . 15.7 ttpp -64.65 -38.07 89.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.004 175.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.753 ' HG2' HG22 ' A' ' 840' ' ' THR . 0.0 OUTLIER -60.73 -42.29 97.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.227 176.352 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.62 ' HG ' HG23 ' A' ' 840' ' ' THR . 4.1 mt -55.71 -45.69 77.84 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 174.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.451 ' CE1' HG23 ' A' ' 879' ' ' ILE . 10.2 m-85 -60.76 -36.64 79.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.803 176.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 7.2 m -70.11 -42.04 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.737 -175.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 47.8 mm-40 -78.61 -27.64 45.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.854 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . 0.553 ' HA ' HD23 ' A' ' 837' ' ' LEU . . . -69.59 -29.64 67.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.074 173.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.74 79.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.808 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.43 -10.98 53.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.166 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 65.4 29.38 11.42 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.5 0.667 . . . . 0.0 110.115 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -84.93 78.47 9.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.272 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.719 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 52.2 m-85 -57.85 -27.64 63.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.482 -178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.19 93.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.226 0.536 . . . . 0.0 109.882 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -79.1 -29.35 43.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.748 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.719 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.0 OUTLIER -60.4 -46.57 89.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.039 173.828 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.35 97.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.458 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -60.68 -47.62 85.45 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.014 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.753 HG22 ' HG2' ' A' ' 824' ' ' ARG . 6.0 m -69.01 -38.18 79.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.26 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.32 82.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.162 0.506 . . . . 0.0 109.873 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -70.73 -37.55 73.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.342 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -48.06 81.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.27 177.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.523 HD21 ' HA ' ' A' ' 844' ' ' LEU . 1.9 mt -66.35 -41.11 90.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -56.73 -45.9 81.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.931 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.25 -48.11 66.8 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.997 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.552 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 23.7 m -68.26 -36.86 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 117.354 0.577 . . . . 0.0 111.329 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.69 -38.3 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.05 -32.68 74.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.085 0.469 . . . . 0.0 110.328 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -37.47 74.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.582 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 73.1 mt -80.23 -8.49 59.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.157 175.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 68.25 27.01 6.79 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.559 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.485 HD12 ' HE2' ' A' ' 885' ' ' TYR . 0.9 OUTLIER -85.66 93.23 8.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.768 179.649 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.647 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 1.7 t -54.06 -58.26 14.35 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -174.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.647 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 47.9 Cg_exo -56.88 -42.44 64.51 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.892 1.728 . . . . 0.0 112.154 -178.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.02 -43.21 93.93 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.059 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . 0.598 ' HD3' ' HA ' ' A' ' 854' ' ' VAL . 0.0 OUTLIER -66.09 -38.94 89.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.712 0.291 . . . . 0.0 110.435 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . 0.49 ' N ' ' HG2' ' A' ' 857' ' ' LYS . 33.9 tt0 -65.46 -38.87 91.09 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.607 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -47.5 85.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.01 176.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 57.0 m -64.4 -36.32 83.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.499 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.0 -49.93 75.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.314 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 862' ' ' THR . . . . . 0.431 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.7 m -68.4 -35.27 77.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.852 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.538 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -60.13 -45.15 93.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.764 0.316 . . . . 0.0 110.213 175.497 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -37.22 81.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.527 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . 0.73 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 4.1 t60 -63.66 -33.89 76.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.328 174.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 863' ' ' LEU . 11.3 mt -74.57 -33.34 62.66 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 122.132 -0.355 . . . . 0.0 110.314 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.647 HD11 ' HB3' ' A' ' 837' ' ' LEU . 19.1 mm -66.83 -47.58 82.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.05 174.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.73 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -62.23 -34.68 76.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.705 179.115 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.594 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.8 OUTLIER -88.77 -2.73 58.74 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.408 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . 0.407 ' HD2' ' O ' ' A' ' 867' ' ' ILE . 2.2 mptm? 54.12 48.96 19.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.801 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -105.6 96.04 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.714 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.737 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 11.9 t -53.77 -56.98 19.65 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.445 -175.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.737 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.7 Cg_exo -54.34 -45.14 43.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 122.23 1.953 . . . . 0.0 112.42 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -65.51 -41.3 96.32 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.262 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.521 ' O ' HG13 ' A' ' 879' ' ' ILE . 59.6 mt -56.11 -59.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.412 0.148 . . . . 0.0 110.965 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . 0.557 ' HA ' HD13 ' A' ' 879' ' ' ILE . 10.9 pt-20 -66.53 -34.47 77.98 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.111 -176.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -59.43 -41.31 89.27 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.934 0.397 . . . . 0.0 110.517 177.503 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.538 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 2.5 m-85 -73.96 -32.32 63.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.557 HD13 ' HA ' ' A' ' 876' ' ' GLU . 64.7 mt -60.94 -41.69 89.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 1.5 m -63.15 -36.23 82.93 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.655 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.86 -39.96 87.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.819 0.342 . . . . 0.0 110.638 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . 0.403 HD13 HD13 ' A' ' 863' ' ' LEU . 94.9 mt -68.57 -33.93 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.129 0.49 . . . . 0.0 110.208 175.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . 0.507 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 0.0 OUTLIER -72.67 -42.09 64.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.63 -177.21 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.5 p -66.44 -33.22 75.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.743 176.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . 0.485 ' HE2' HD12 ' A' ' 853' ' ' LEU . 36.0 t80 -62.03 -58.11 9.09 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 122.503 1.144 . . . . 0.0 110.157 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 818' ' ' VAL . 0.9 OUTLIER -66.74 -31.41 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-N 113.637 -1.62 . . . . 0.0 110.743 -176.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 7.4 mtpt -69.72 -28.91 66.21 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.781 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 61.8 m -75.27 -28.74 59.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.473 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.15 -58.85 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.262 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--O 1.246 0.885 0 CA-C-O 119.104 -0.474 . . . . 0.0 111.199 -175.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 3.4 tmm? . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -144.58 -63.72 0.36 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.745 0.307 . . . . 0.0 110.747 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -95.42 -41.31 9.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 111.377 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -101.8 74.99 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.088 0.47 . . . . 0.0 110.807 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -44.5 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.042 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 3.2 mt -135.04 -171.46 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.575 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -116.66 -147.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.312 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 1.088 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 0.5 OUTLIER -139.92 -75.81 0.34 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.325 0.583 . . . . 0.0 109.617 -178.006 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 1.088 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 0.1 OUTLIER -130.45 98.47 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 173.017 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -54.48 -32.8 58.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.305 0.574 . . . . 0.0 110.11 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.49 ' H ' HG21 ' A' ' 785' ' ' VAL . 0.3 OUTLIER -106.76 52.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.383 176.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . 0.666 ' HA ' ' HB ' ' A' ' 783' ' ' ILE . 2.1 pt20 -40.07 -71.36 0.08 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 114.514 -1.221 . . . . 0.0 113.853 -171.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.4 -1.73 30.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.683 -171.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -143.01 102.29 3.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.833 0.349 . . . . 0.0 111.207 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . 0.528 ' HB2' ' H ' ' A' ' 790' ' ' GLU . 0.0 OUTLIER -99.76 -109.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.294 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.528 ' H ' ' HB2' ' A' ' 789' ' ' GLN . 3.4 pt-20 -102.83 155.98 17.97 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 171.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -132.27 93.96 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.939 0.4 . . . . 0.0 110.65 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . 0.484 ' H ' HG21 ' A' ' 792' ' ' VAL . 1.3 m -82.29 48.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.129 0.49 . . . . 0.0 111.42 -177.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.58 31.53 2.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.375 0.607 . . . . 0.0 110.292 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.69 172.48 7.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.744 -177.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 795' ' ' SER . . . . . 0.446 ' HA ' ' HD2' ' A' ' 796' ' ' PRO . 0.6 OUTLIER 70.21 101.81 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.244 0 O-C-N 123.814 0.696 . . . . 0.0 111.784 176.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 795' ' ' SER . 16.3 Cg_endo -59.18 167.22 6.16 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.742 2.295 . . . . 0.0 111.742 172.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . 0.746 HD21 ' HA ' ' A' ' 801' ' ' GLU . 0.1 OUTLIER -75.4 -118.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -175.369 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . 0.403 ' H ' ' HB2' ' A' ' 797' ' ' LEU . . . 87.31 49.01 4.1 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.346 -177.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 159.35 -58.7 0.32 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.203 -0.522 . . . . 0.0 112.106 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -117.87 82.77 1.89 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.217 0.532 . . . . 0.0 110.262 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.746 ' HA ' HD21 ' A' ' 797' ' ' LEU . 11.4 mp0 -84.1 -22.82 31.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.334 177.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -33.87 75.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.826 -177.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.37 73.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.343 . . . . 0.0 111.225 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -39.59 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.491 -177.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' A' ' 814' ' ' PHE . 0.1 OUTLIER -64.42 -33.69 76.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.655 178.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -74.49 -44.64 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.582 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.04 76.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.834 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 3.1 p -80.21 -6.07 57.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.765 0.317 . . . . 0.0 111.134 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 76.39 12.27 84.4 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.574 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . 0.442 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.3 OUTLIER -80.49 -8.41 59.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.891 0.377 . . . . 0.0 110.514 -178.439 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -55.46 -37.91 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.978 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.98 94.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.845 177.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -37.06 83.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.228 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.515 ' HB2' HD12 ' A' ' 805' ' ' LEU . 88.7 t80 -63.78 -53.86 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.862 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.79 -17.13 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -175.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -74.84 -65.38 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -95.87 -36.89 10.95 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -171.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.63 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 64.4 t -58.1 -56.79 31.3 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -169.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.63 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 31.6 Cg_exo -59.4 -41.98 53.08 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.922 1.748 . . . . 0.0 112.55 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.926 ' HA ' ' HD3' ' A' ' 823' ' ' LYS . 0.5 OUTLIER -73.48 -34.31 65.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.751 -177.814 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -35.27 80.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 175.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . 0.633 ' HA ' HD11 ' A' ' 825' ' ' LEU . 49.9 t -63.9 -46.57 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.992 177.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.926 ' HD3' ' HA ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -70.24 -26.11 63.69 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.348 178.335 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -68.47 -38.08 80.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 172.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.633 HD11 ' HA ' ' A' ' 822' ' ' VAL . 4.0 mt -60.57 -41.22 94.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 172.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.828 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 17.0 m-85 -55.1 -42.55 73.06 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.023 173.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 6.0 m -66.6 -45.26 79.76 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.621 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.603 ' HG2' ' HB2' ' A' ' 836' ' ' ALA . 0.0 OUTLIER -69.13 -40.9 77.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.227 -177.712 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.87 82.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.819 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.15 -26.88 66.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.513 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.86 1.05 52.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.548 0.213 . . . . 0.0 111.338 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.2 m 62.11 32.23 17.53 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.355 0.597 . . . . 0.0 110.692 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.64 70.45 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.332 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -58.45 -38.23 77.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.669 -173.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.85 85.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.347 0.594 . . . . 0.0 110.731 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 839' ' ' GLN . . . -80.76 -34.22 34.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.515 0.674 . . . . 0.0 109.293 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.653 HD23 HG22 ' A' ' 875' ' ' ILE . 15.1 tp -59.04 -39.58 82.42 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.788 172.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.41 -50.22 70.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.475 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . 0.608 ' HG3' ' O ' ' A' ' 836' ' ' ALA . 1.7 pp0? -61.26 -34.6 75.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.306 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.506 ' HB ' HD22 ' A' ' 825' ' ' LEU . 3.2 m -71.27 -43.73 66.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.876 178.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.66 -32.03 73.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.135 0.493 . . . . 0.0 110.334 177.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . 0.788 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 8.7 t60 -59.96 -49.9 75.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.114 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 843' ' ' ARG . 1.3 ttm180 -65.77 -37.33 86.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.956 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.466 ' O ' HG21 ' A' ' 847' ' ' VAL . 0.2 OUTLIER -63.0 -48.36 79.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.169 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.788 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -62.53 -32.16 73.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.463 . . . . 0.0 109.895 177.567 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . 0.442 ' N ' ' HG2' ' A' ' 845' ' ' LYS . . . -68.26 -49.66 44.46 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.666 177.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 844' ' ' LEU . 20.7 m -64.09 -36.08 75.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.91 0.355 . . . . 0.0 110.899 -178.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -64.21 -43.41 95.09 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.57 77.42 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 850' ' ' MET . . . . . 0.425 ' HE1' ' HA ' ' A' ' 847' ' ' VAL . 4.6 mtm -59.03 -50.4 74.23 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.51 0.672 . . . . 0.0 110.633 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.02 -1.34 56.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.483 -176.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 73.36 26.47 2.04 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.53 0.681 . . . . 0.0 111.033 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.0 mt -86.2 72.59 10.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.256 176.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.684 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 21.9 t -51.39 -54.69 36.01 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.78 -175.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.684 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 46.5 Cg_exo -56.56 -37.75 96.83 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.095 1.863 . . . . 0.0 112.398 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.42 -44.36 84.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.508 178.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . 0.537 ' O ' ' HG2' ' A' ' 861' ' ' GLU . 4.3 tttm -63.52 -39.43 94.41 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -55.04 -44.51 74.73 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.583 177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.36 -44.47 95.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.306 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 77.3 m -66.71 -35.54 80.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.543 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 857' ' ' LYS . 75.9 mm-40 -60.77 -48.07 83.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.394 0.616 . . . . 0.0 110.076 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.4 m -67.43 -32.33 73.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.604 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.697 ' HA ' HD11 ' A' ' 866' ' ' LEU . 0.2 OUTLIER -60.65 -47.79 84.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.204 174.668 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . 0.5 ' HA ' HD13 ' A' ' 867' ' ' ILE . 1.7 mt-10 -58.89 -37.59 76.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 0.0 110.224 176.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . 0.444 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 1.9 t60 -62.19 -39.73 93.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.171 175.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . 0.697 HD11 ' HA ' ' A' ' 863' ' ' LEU . 11.7 mt -67.45 -43.13 81.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.388 178.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.505 HG12 HD22 ' A' ' 837' ' ' LEU . 23.8 mt -64.69 -44.42 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.5 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -61.17 -33.73 73.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.153 -178.599 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 10.9 pt-20 -102.78 12.94 35.56 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.296 -0.561 . . . . 0.0 111.357 -178.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 58.03 38.31 26.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.126 -0.943 . . . . 0.0 112.406 173.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . 0.455 ' HB3' HD21 ' A' ' 866' ' ' LEU . 33.3 t0 -88.1 83.28 7.01 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 173.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.534 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 0.7 OUTLIER -56.82 -54.35 55.12 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.004 -178.071 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.534 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 36.9 Cg_exo -59.1 -34.95 98.87 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.104 1.869 . . . . 0.0 112.395 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.18 -42.13 91.56 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.737 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.653 HG22 HD23 ' A' ' 837' ' ' LEU . 39.6 mt -55.78 -50.32 68.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.139 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -55.53 -48.16 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.002 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -49.1 78.54 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.231 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -69.47 -33.77 73.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.42 -44.37 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.23 177.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -35.39 80.95 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.891 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -71.13 -36.65 72.18 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.985 0.421 . . . . 0.0 111.093 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 80.4 mt -68.93 -34.27 63.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.311 0.577 . . . . 0.0 109.93 174.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . 0.444 ' CG ' ' HZ1' ' A' ' 887' ' ' LYS . 20.3 t70 -70.32 -44.72 67.65 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.516 -176.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.9 p -64.61 -40.04 94.79 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.195 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.07 -55.92 27.05 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.776 0.798 . . . . 0.0 109.998 176.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 1.4 t -61.54 -36.19 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.886 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . 0.444 ' HZ1' ' CG ' ' A' ' 883' ' ' ASP . 0.0 OUTLIER -65.55 -38.55 89.92 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -25.69 61.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.996 0.427 . . . . 0.0 110.402 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.96 -24.06 52.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.774 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 887' ' ' LYS . 28.6 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.186 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 10.1 ttp . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.959 0.409 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -130.38 -81.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.449 176.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -43.03 64.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.236 0.541 . . . . 0.0 109.611 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -81.69 60.17 4.51 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.98 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 7.9 p -76.24 -17.17 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.165 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . 0.451 ' H ' ' HG ' ' A' ' 780' ' ' LEU . 0.0 OUTLIER -81.46 168.6 18.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.804 176.609 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . 0.431 ' HB2' ' H ' ' A' ' 782' ' ' LEU . 27.1 mt-30 -78.86 -103.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.114 0.483 . . . . 0.0 111.091 -177.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.754 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 0.4 OUTLIER -146.7 -57.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.398 -179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.754 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 6.9 mm -132.03 -89.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.474 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 0.1 OUTLIER -165.51 -64.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.999 177.844 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.478 HG13 ' HG3' ' A' ' 789' ' ' GLN . 0.0 OUTLIER -126.0 53.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.509 -176.423 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 56.67 -92.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.852 -171.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.72 83.27 1.59 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . 91.0 146.58 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 O-C-N 124.536 1.148 . . . . 0.0 110.848 173.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . 0.478 ' HG3' HG13 ' A' ' 785' ' ' VAL . 1.0 OUTLIER -130.92 4.12 4.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.823 -174.227 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.38 141.59 28.41 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.15 176.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 792' ' ' VAL . 2.6 tt0 -144.59 96.54 2.89 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.841 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . 0.496 ' O ' HG11 ' A' ' 792' ' ' VAL . 0.9 OUTLIER 77.22 119.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.821 0.82 . . . . 0.0 110.769 -177.642 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.27 25.29 4.52 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.353 172.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -153.09 139.52 18.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.42 -1.264 . . . . 0.0 108.492 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 795' ' ' SER . . . . . 0.437 ' HA ' ' HD3' ' A' ' 796' ' ' PRO . 0.3 OUTLIER -130.83 131.87 23.54 Favored Pre-proline 0 C--N 1.31 -1.132 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.626 -171.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 795' ' ' SER . 6.5 Cg_exo -74.6 91.59 0.98 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.201 2.601 . . . . 0.0 112.111 176.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . 0.519 HD22 ' HG3' ' A' ' 804' ' ' GLN . 0.6 OUTLIER -86.12 150.1 24.66 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.416 178.779 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -119.49 -80.82 0.68 Allowed Glycine 0 C--N 1.316 -0.535 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 174.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -124.08 33.96 3.7 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 174.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . 0.724 ' HB2' ' HB1' ' A' ' 803' ' ' ALA . 1.3 p30 -129.48 58.8 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.185 -0.507 . . . . 0.0 111.173 -175.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.35 -41.34 98.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.108 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . 0.69 ' HA ' HD22 ' A' ' 805' ' ' LEU . 24.7 t30 -59.67 -39.91 86.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.499 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . 0.724 ' HB1' ' HB2' ' A' ' 800' ' ' ASP . . . -61.72 -44.29 97.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.201 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . 0.519 ' HG3' HD22 ' A' ' 797' ' ' LEU . 0.0 OUTLIER -62.29 -50.58 71.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.69 HD22 ' HA ' ' A' ' 802' ' ' ASN . 0.1 OUTLIER -65.07 -37.22 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.687 -176.206 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.517 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 0.0 OUTLIER -82.55 -16.56 48.13 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.129 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -78.78 -34.44 45.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 110.78 176.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -15.14 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.104 0.478 . . . . 0.0 110.88 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.32 33.91 11.2 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.169 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -106.98 14.3 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 110.483 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.43 ' HD1' ' HA ' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -69.25 -32.2 71.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.28 -178.56 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.21 93.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.552 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.7 tt -67.44 -39.65 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.395 177.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.61 ' HA ' HG22 ' A' ' 818' ' ' VAL . 1.6 t80 -56.6 -38.04 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.82 -177.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 24.5 m -99.36 1.92 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.701 0.286 . . . . 0.0 111.46 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -96.87 -68.48 0.8 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.113 -176.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.29 -24.51 15.64 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -171.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.633 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 52.2 t -64.81 -54.24 36.99 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.633 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 51.7 Cg_exo -54.72 -44.35 50.49 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.17 1.913 . . . . 0.0 112.82 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.72 -26.97 61.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.374 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -75.66 -32.43 60.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 110.253 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . 0.56 ' HA ' HD11 ' A' ' 825' ' ' LEU . 78.9 t -63.76 -41.42 92.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 170.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.2 OUTLIER -61.42 -37.47 83.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.18 174.095 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.641 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 5.0 ttm105 -59.7 -45.2 92.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.123 176.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.712 ' HG ' HG23 ' A' ' 840' ' ' THR . 12.8 mt -55.72 -43.68 76.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.953 0.406 . . . . 0.0 110.316 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.416 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 20.1 m-85 -59.04 -40.91 86.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.43 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 4.7 m -67.41 -46.19 73.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.493 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.1 mm-40 -71.63 -30.03 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.65 -177.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . 0.518 ' HA ' HD13 ' A' ' 837' ' ' LEU . . . -67.45 -38.46 84.53 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.351 176.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.28 -39.39 93.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.354 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 1.4 p -84.68 -7.81 59.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.359 . . . . 0.0 111.117 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.94 31.02 7.34 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.238 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -88.07 78.16 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.255 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.654 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 51.7 m-85 -65.77 -18.32 65.25 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.367 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -71.63 -41.53 68.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.278 0.561 . . . . 0.0 109.583 173.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.13 -35.01 56.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.295 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.654 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 5.7 mt -55.63 -48.82 74.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.091 174.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.93 98.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.988 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.06 -37.52 87.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.373 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.712 HG23 ' HG ' ' A' ' 825' ' ' LEU . 6.1 m -70.97 -40.51 71.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.723 0.297 . . . . 0.0 110.589 177.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.0 -32.83 74.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.995 0.426 . . . . 0.0 110.039 175.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -49.36 78.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.798 175.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 840' ' ' THR . 2.9 ptm85 -68.28 -36.22 79.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.915 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.463 ' HA ' HG21 ' A' ' 847' ' ' VAL . 0.1 OUTLIER -69.07 -39.87 78.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 110.26 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.506 ' HZ3' ' CD ' ' A' ' 864' ' ' GLU . 5.7 ttmt -58.28 -44.37 88.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.734 174.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.02 78.14 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.09 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.517 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 30.8 m -69.2 -34.61 64.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 117.006 0.403 . . . . 0.0 111.361 -177.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.443 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 1.6 m-30 -71.52 -40.47 70.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.54 -38.19 83.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.24 -44.25 88.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.428 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 84.6 mt -72.42 -9.79 58.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.3 m-80 79.99 20.98 0.56 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.855 0.722 . . . . 0.0 110.187 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.05 78.31 8.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.523 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.493 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 1.6 t -53.04 -53.24 57.6 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.776 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 19.4 Cg_endo -58.69 -32.89 97.79 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.26 1.973 . . . . 0.0 112.13 177.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.05 -47.52 64.72 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.641 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -34.65 78.54 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -42.16 91.13 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.684 176.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 855' ' ' PRO . 77.8 mt -62.03 -46.68 88.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.345 176.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.95 -35.78 79.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.0 -48.8 78.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.079 0.466 . . . . 0.0 110.435 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 862' ' ' THR . . . . . 0.423 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 3.6 m -68.78 -30.14 68.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.959 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -48.79 80.2 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 173.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . 0.506 ' CD ' ' HZ3' ' A' ' 845' ' ' LYS . 25.2 mt-10 -58.64 -37.41 75.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.394 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . 0.56 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 1.0 OUTLIER -64.82 -36.68 85.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.356 176.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 4.5 mt -72.64 -36.05 67.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.867 0.365 . . . . 0.0 110.18 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 30.7 mt -65.92 -43.39 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.183 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.56 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -65.95 -29.1 69.45 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.456 177.605 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 8.7 tt0 -83.27 -15.58 49.68 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.083 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.27 33.25 19.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.568 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -87.74 82.64 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 176.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 876' ' ' GLU . 73.1 t -50.08 -55.63 23.22 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.688 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.3 Cg_endo -54.11 -43.3 59.62 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.187 1.925 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.36 -34.02 83.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.32 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 879' ' ' ILE . 66.2 mt -61.78 -56.52 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 0.9 OUTLIER -60.82 -39.82 90.45 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.643 0.258 . . . . 0.0 110.811 -178.058 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -40.35 95.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.864 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.423 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.1 OUTLIER -70.11 -32.88 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.811 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 875' ' ' ILE . 69.3 mt -63.77 -40.72 90.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -31.37 68.45 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.442 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -69.81 -40.52 75.87 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.219 0.533 . . . . 0.0 110.346 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 81.1 mt -66.41 -33.64 64.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.83 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 8.7 t70 -73.67 -43.31 59.76 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.825 -177.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 884' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 4.0 p -63.86 -31.36 72.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.005 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -51.06 70.46 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.56 0.695 . . . . 0.0 109.46 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.486 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.5 OUTLIER -64.7 -31.79 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.345 178.532 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 34.0 mmtm -58.19 -45.41 87.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.809 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -21.13 37.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.568 -176.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 802' ' ' ASN . 0.1 OUTLIER -87.75 -22.03 24.8 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 6.5 mt . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.694 -0.67 . . . . 0.0 110.879 177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.192 0 CA-C-O 120.478 0.18 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -63.82 -52.72 58.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.769 0.319 . . . . 0.0 111.393 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -84.63 -67.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.466 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -101.88 78.87 1.85 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.333 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.406 ' HB ' ' H ' ' A' ' 780' ' ' LEU . 0.2 OUTLIER -57.83 -84.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.766 179.273 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . 0.406 ' H ' ' HB ' ' A' ' 779' ' ' VAL . 0.0 OUTLIER -170.6 -160.16 0.2 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.398 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -95.77 156.99 16.1 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.436 ' CG ' ' H ' ' A' ' 783' ' ' ILE . 0.2 OUTLIER -74.26 -102.84 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.438 HG21 ' HG2' ' A' ' 784' ' ' GLU . 3.9 mp -90.26 -79.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 168.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.438 ' HG2' HG21 ' A' ' 783' ' ' ILE . 9.9 pt-20 176.06 -49.76 0.01 OUTLIER 'General case' 0 C--N 1.335 -0.052 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.444 173.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -117.38 -43.69 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.92 -175.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 68.0 -79.56 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.139 0.576 . . . . 0.0 110.792 -178.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 10.8 mt -131.98 42.72 3.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.221 0.534 . . . . 0.0 110.193 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -127.77 24.23 6.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.044 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -136.25 109.36 7.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.421 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -110.35 -160.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.195 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -137.28 -179.53 5.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.64 0.257 . . . . 0.0 111.068 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . 0.439 ' HB ' ' H ' ' A' ' 793' ' ' THR . 6.0 m -85.31 -148.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.111 -176.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 793' ' ' THR . . . . . 0.439 ' H ' ' HB ' ' A' ' 792' ' ' VAL . 1.0 OUTLIER -146.78 134.0 20.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.887 0.375 . . . . 0.0 110.642 -178.359 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . 0.44 ' O ' ' HD2' ' A' ' 796' ' ' PRO . 0.0 OUTLIER -134.51 -158.71 0.9 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.759 178.766 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 795' ' ' SER . . . . . 0.509 ' HB2' ' HD3' ' A' ' 796' ' ' PRO . 40.1 m 103.62 -68.74 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.029 0 C-N-CA 125.41 1.484 . . . . 0.0 112.374 176.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.509 ' HD3' ' HB2' ' A' ' 795' ' ' SER . 60.0 Cg_endo -72.91 126.55 11.39 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 121.377 1.385 . . . . 0.0 112.25 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . 0.532 ' HB3' HE22 ' A' ' 804' ' ' GLN . 2.6 mp -81.9 -33.39 30.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.851 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 86.03 -56.66 4.81 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.89 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 173.48 -139.19 4.97 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.3 t0 57.69 44.46 20.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.235 0.541 . . . . 0.0 110.583 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -56.14 -50.57 70.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.87 -174.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.06 -47.31 86.94 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.232 -176.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.1 77.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . 0.532 HE22 ' HB3' ' A' ' 797' ' ' LEU . 28.8 mt-30 -65.22 -34.81 79.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.505 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.65 -34.18 77.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.208 0.528 . . . . 0.0 110.326 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 4.9 t-160 -72.01 -43.77 64.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 175.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.46 79.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.986 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -18.17 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.065 0.46 . . . . 0.0 111.015 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 86.15 -5.1 85.09 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.351 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -81.61 -0.6 43.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.027 0.441 . . . . 0.0 110.38 -178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.527 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.3 t80 -52.63 -41.69 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.422 174.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.13 90.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.158 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -43.66 84.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.211 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -55.32 -51.52 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.394 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 32.1 m -81.15 -10.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.76 0.314 . . . . 0.0 111.81 -176.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -78.56 -63.4 1.41 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.668 0.27 . . . . 0.0 111.136 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.44 -49.63 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -172.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.702 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 49.0 t -52.2 -59.2 8.95 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -168.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.702 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.1 Cg_exo -57.37 -47.29 22.73 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.001 1.8 . . . . 0.0 112.727 -176.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.496 ' HA ' ' HE3' ' A' ' 823' ' ' LYS . 0.7 OUTLIER -71.66 -29.76 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.775 -177.529 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -31.47 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.253 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 42.0 t -63.48 -43.76 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 173.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 820' ' ' ASP . 15.9 mtmt -59.76 -41.47 91.11 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.181 174.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 6.8 tpt180 -63.01 -44.93 94.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.294 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.523 HD22 ' HB ' ' A' ' 840' ' ' THR . 3.3 mt -56.26 -45.73 79.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.497 176.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.426 ' CE2' HG23 ' A' ' 879' ' ' ILE . 0.2 OUTLIER -58.41 -37.39 75.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.101 0.477 . . . . 0.0 110.618 176.607 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 39.7 m -67.02 -45.56 77.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.851 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 9.0 mm-40 -72.87 -27.74 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.664 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.29 -35.74 80.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.135 175.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.09 73.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.989 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -5.65 58.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.172 178.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 64.27 30.19 13.54 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.586 0.707 . . . . 0.0 110.23 -177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -84.34 74.54 10.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.963 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -59.08 -29.81 67.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.807 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.34 94.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.034 0.445 . . . . 0.0 110.216 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.7 -36.89 59.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.589 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -50.0 73.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.058 174.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.44 95.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.25 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -60.33 -47.67 85.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.075 0.464 . . . . 0.0 111.22 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.523 ' HB ' HD22 ' A' ' 825' ' ' LEU . 2.2 m -68.69 -39.52 80.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.34 86.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.381 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . 0.592 ' O ' ' HG2' ' A' ' 845' ' ' LYS . 0.1 OUTLIER -56.92 -49.85 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.382 174.833 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 843' ' ' ARG . 5.2 ttm180 -63.7 -40.71 97.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.188 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.566 ' O ' HG21 ' A' ' 847' ' ' VAL . 2.6 mt -69.94 -41.05 75.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.216 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' ' 842' ' ' HIS . 15.9 ptmt -64.23 -32.79 74.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.126 177.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.19 -46.47 64.7 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.497 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.566 HG21 ' O ' ' A' ' 844' ' ' LEU . 15.5 m -69.18 -36.66 74.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 117.005 0.402 . . . . 0.0 111.739 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -72.12 -39.89 68.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 0.0 110.098 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.66 84.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.289 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.5 ttm -64.91 -40.31 94.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.164 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 44.0 mt -78.73 -9.82 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.759 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 76.91 6.74 3.22 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.663 0.744 . . . . 0.0 110.683 173.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.09 93.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.589 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.486 ' HB ' ' CD ' ' A' ' 855' ' ' PRO . 16.4 t -56.1 -60.17 9.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.42 -174.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.535 ' HG2' ' OH ' ' A' ' 885' ' ' TYR . 10.5 Cg_endo -55.84 -42.16 69.95 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.174 1.916 . . . . 0.0 112.517 -178.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 859' ' ' LEU . . . -64.04 -46.35 91.5 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.226 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . 0.717 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 0.0 OUTLIER -67.6 -37.69 82.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.446 -179.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -36.07 78.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.294 174.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 856' ' ' GLY . 19.6 mt -62.19 -49.45 75.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.744 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . 0.717 ' SG ' ' HA ' ' A' ' 857' ' ' LYS . 0.1 OUTLIER -70.88 -34.89 72.05 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.394 -177.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.96 -45.85 87.26 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.091 0.472 . . . . 0.0 110.432 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 25.0 m -65.22 -37.13 86.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.167 176.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.674 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.8 OUTLIER -60.31 -43.35 96.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.414 176.453 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.27 -45.74 83.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.174 0.511 . . . . 0.0 110.432 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . 0.571 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 17.8 t60 -64.74 -33.63 76.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.443 177.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . 0.578 HD23 ' HA3' ' A' ' 874' ' ' GLY . 26.1 mt -68.92 -40.04 79.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.836 0.35 . . . . 0.0 110.383 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.462 ' HA ' HD12 ' A' ' 875' ' ' ILE . 36.3 mt -67.07 -44.81 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 177.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -62.0 -34.89 77.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.321 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 5.1 mm-40 -90.26 -0.5 57.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.73 -177.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.1 42.98 30.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.027 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -91.53 80.05 5.45 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.503 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 1.9 t -53.3 -50.13 84.27 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.803 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 12.5 Cg_endo -56.89 -43.27 55.94 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.102 1.868 . . . . 0.0 112.419 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . 0.578 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -63.81 -43.99 96.86 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.879 -0.676 . . . . 0.0 111.863 177.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 867' ' ' ILE . 62.3 mt -55.72 -50.63 66.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.649 0.262 . . . . 0.0 110.411 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -53.88 -49.65 68.05 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.988 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -40.38 96.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.123 -177.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.674 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 3.1 m-85 -75.99 -32.15 59.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.414 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 875' ' ' ILE . 17.0 mm -60.18 -49.59 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.31 -28.78 66.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.675 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . 0.4 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -69.21 -34.87 75.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.853 0.358 . . . . 0.0 110.657 177.644 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 10.4 mt -71.06 -33.56 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 173.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.87 -45.62 67.28 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 6.5 p -66.22 -32.63 74.18 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.246 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . 0.535 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 24.7 t80 -57.39 -58.22 9.21 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 122.462 1.125 . . . . 0.0 109.715 175.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.625 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 2.0 t -65.75 -35.98 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.967 -1.924 . . . . 0.0 110.275 -176.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -56.36 -45.7 80.35 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.965 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.3 m -83.25 -15.48 50.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.238 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' A' ' 889' ' ' LEU . 0.4 OUTLIER -76.24 -33.49 59.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 178.167 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.321 175.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 2.3 ttp . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . 0.54 ' O ' ' HG3' ' A' ' 776' ' ' GLN . 0.0 OUTLIER 70.88 112.48 0.06 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 123.912 0.758 . . . . 0.0 111.482 177.6 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 68.75 -66.54 0.24 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.698 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -80.96 40.08 0.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.283 0.563 . . . . 0.0 111.078 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.434 ' H ' HG21 ' A' ' 779' ' ' VAL . 0.0 OUTLIER -95.81 -17.41 6.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.496 175.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.85 -141.21 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.077 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.43 165.9 12.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.558 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 0.3 OUTLIER -61.03 -62.15 2.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 176.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.558 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 21.7 mm -120.25 -82.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 171.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.496 ' HG3' ' N ' ' A' ' 785' ' ' VAL . 0.0 OUTLIER -169.15 -46.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.743 176.363 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.496 ' N ' ' HG3' ' A' ' 784' ' ' GLU . 1.7 m -135.73 31.24 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.678 0.275 . . . . 0.0 110.466 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 53.65 -98.75 0.08 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.934 -176.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.94 -56.38 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.14 177.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . 177.08 168.62 0.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.844 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -139.61 69.1 1.36 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.284 0.564 . . . . 0.0 109.793 175.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -140.18 -176.3 4.56 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.012 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -168.63 -177.25 3.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.214 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.36 146.61 33.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.828 0.347 . . . . 0.0 110.648 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 15.2 t -120.09 -165.37 1.17 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 173.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . 0.536 ' O ' ' HD3' ' A' ' 796' ' ' PRO . 0.6 OUTLIER -70.88 141.93 51.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.951 0.405 . . . . 0.0 110.505 -179.572 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.96 92.31 5.16 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.522 175.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 794' ' ' GLU . 16.4 Cg_endo -90.09 -172.84 0.61 Allowed 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 123.021 2.481 . . . . 0.0 112.059 -177.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . 0.541 ' HB3' ' HG2' ' A' ' 804' ' ' GLN . 0.2 OUTLIER -114.22 113.54 24.78 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.115 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -78.16 -27.02 58.79 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.048 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -167.13 168.51 40.44 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 13.1 t0 66.08 74.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.411 0.624 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -69.28 -30.99 69.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.862 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . 0.48 ' HA ' HD21 ' A' ' 805' ' ' LEU . 32.1 t30 -58.19 -45.35 87.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.5 91.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . 0.541 ' HG2' ' HB3' ' A' ' 797' ' ' LEU . 1.2 mp0 -67.5 -45.24 76.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.858 -178.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.717 HD22 ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -69.59 -26.52 64.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.582 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.43 -46.45 63.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.836 174.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.12 82.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.95 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -12.0 60.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 76.87 17.68 79.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.939 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . 0.763 ' HB3' HD21 ' A' ' 851' ' ' LEU . 10.0 m-30 -94.03 -6.71 44.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.941 0.4 . . . . 0.0 110.469 -177.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.717 ' HD1' HD22 ' A' ' 805' ' ' LEU . 91.2 t80 -59.31 -36.17 75.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.482 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.16 -37.23 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.2 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.4 mt -78.22 -34.62 49.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.288 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.461 ' O ' ' HD3' ' A' ' 819' ' ' PRO . 53.4 t80 -57.83 -53.46 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.44 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 9.1 m -79.04 -9.12 12.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.501 -177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -85.24 -70.66 0.57 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.999 0.428 . . . . 0.0 111.439 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 817' ' ' THR . . . . . 0.503 HG21 ' N ' ' A' ' 818' ' ' VAL . 3.4 t -89.53 -32.11 17.32 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -171.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.629 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 63.4 t -62.65 -55.03 42.57 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.629 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.1 Cg_exo -61.07 -38.86 64.45 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.584 1.523 . . . . 0.0 111.812 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.27 -29.04 63.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.446 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . 0.962 ' HB3' HD13 ' A' ' 844' ' ' LEU . 0.3 OUTLIER -68.02 -37.2 81.1 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.537 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.66 -41.37 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.91 173.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -59.74 -39.96 86.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.234 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.663 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -61.01 -45.74 93.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.177 176.73 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.745 HD13 HD12 ' A' ' 844' ' ' LEU . 30.3 mt -52.48 -46.47 66.57 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.533 176.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -36.18 82.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.768 178.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 19.0 m -66.15 -45.55 80.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.7 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.724 ' HB2' HD12 ' A' ' 837' ' ' LEU . 7.2 mm-40 -67.57 -34.58 77.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.48 98.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.793 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -68.14 -29.21 68.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.164 0.506 . . . . 0.0 110.641 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 6.7 m -83.53 -12.0 56.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.807 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.4 25.55 15.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.625 0.726 . . . . 0.0 109.896 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -91.74 78.04 5.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.337 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.736 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 24.8 m-85 -62.6 -22.69 66.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.727 -178.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.68 -40.15 92.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.282 0.563 . . . . 0.0 109.708 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -76.16 -32.12 58.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.008 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.736 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.0 OUTLIER -55.6 -49.96 71.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.812 173.449 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.82 99.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.227 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -60.28 -44.74 95.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.993 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.667 HG23 ' HG ' ' A' ' 825' ' ' LEU . 6.0 m -66.92 -44.19 81.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.925 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . 0.613 ' HB2' ' HG3' ' A' ' 864' ' ' GLU . . . -64.2 -33.57 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.971 0.415 . . . . 0.0 110.728 178.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -47.8 84.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.143 175.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.511 ' HD2' ' OD1' ' A' ' 821' ' ' ASP . 32.5 ttm105 -62.13 -44.46 96.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.392 178.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.962 HD13 ' HB3' ' A' ' 821' ' ' ASP . 0.1 OUTLIER -64.82 -38.11 89.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.035 -178.22 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.646 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 8.5 ttmt -62.25 -43.81 97.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.853 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.25 -47.98 61.18 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.612 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.669 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 27.6 m -66.06 -36.53 77.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-N 116.872 0.336 . . . . 0.0 111.279 -177.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.416 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 0.2 OUTLIER -67.33 -40.97 85.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.732 0.301 . . . . 0.0 110.365 179.339 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.9 86.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.221 175.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -36.84 78.21 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.818 177.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.763 HD21 ' HB3' ' A' ' 810' ' ' TYR . 70.4 mt -74.44 -11.76 60.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.412 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 79.11 14.96 1.06 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.642 176.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.7 83.31 8.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.8 177.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.431 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 12.1 t -53.46 -56.85 20.42 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.296 -176.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 12.9 Cg_endo -56.83 -32.9 93.33 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.13 1.886 . . . . 0.0 112.216 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.51 -45.39 78.2 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.696 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -36.27 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -63.35 -39.08 93.57 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.635 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.24 -49.18 78.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.486 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 29.7 m -63.44 -34.25 77.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.097 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . 0.646 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 1.2 mm-40 -61.02 -51.81 67.64 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.153 0.502 . . . . 0.0 110.394 177.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 862' ' ' THR . . . . . 0.464 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.7 m -65.13 -36.32 83.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.946 178.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.579 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -58.56 -49.64 76.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.154 176.565 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . 0.613 ' HG3' ' HB2' ' A' ' 841' ' ' ALA . 2.1 mt-10 -58.17 -39.93 80.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.768 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -67.45 -36.12 80.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.614 177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 28.4 mt -67.11 -39.88 86.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.933 0.397 . . . . 0.0 110.471 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 29.5 mt -66.04 -42.63 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.405 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.83 -28.5 69.03 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.763 178.73 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.448 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 20.0 mm-40 -85.06 -5.2 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.145 178.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 57.17 38.65 29.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.986 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -89.17 86.66 6.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.506 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.611 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 0.5 OUTLIER -53.37 -58.51 12.42 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.815 -170.771 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.611 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 42.6 Cg_exo -57.35 -36.15 98.88 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.072 1.848 . . . . 0.0 112.046 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -65.72 -40.15 95.63 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.036 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 41.0 mt -62.55 -52.9 54.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.743 0.306 . . . . 0.0 110.474 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 872' ' ' VAL . 8.7 mt-10 -59.23 -43.43 92.35 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.592 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . 0.45 ' HZ2' ' CG ' ' A' ' 881' ' ' ASP . 2.1 tmtt? -59.69 -47.75 84.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.733 177.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.579 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.2 OUTLIER -69.31 -33.73 73.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.741 -176.328 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 77.6 mt -58.78 -47.15 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 1.5 m -67.84 -28.72 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.967 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . 0.571 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 2.6 m-20 -69.07 -40.89 78.19 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.123 0.487 . . . . 0.0 110.621 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . 0.475 HD13 HD13 ' A' ' 863' ' ' LEU . 88.0 mt -68.91 -33.67 60.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.147 0.499 . . . . 0.0 109.976 175.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . 0.475 ' CG ' ' HZ3' ' A' ' 887' ' ' LYS . 1.9 t70 -69.61 -46.69 65.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.612 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 9.6 p -64.18 -32.95 74.73 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.313 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -55.16 28.29 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.055 0.931 . . . . 0.0 110.091 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.584 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.3 t -61.94 -39.48 83.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.465 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . 0.634 ' HA ' HD13 ' A' ' 890' ' ' LEU . 11.4 mttt -64.55 -33.61 76.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.719 -178.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.3 -27.45 42.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.444 176.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -48.19 80.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.973 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.634 HD13 ' HA ' ' A' ' 887' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.264 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 775' ' ' MET . . . . . 0.523 ' HG2' HG11 ' A' ' 779' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.79 0.328 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . 0.401 ' HB3' ' H ' ' A' ' 777' ' ' GLU . 0.6 OUTLIER -151.67 -93.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.691 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.401 ' H ' ' HB3' ' A' ' 776' ' ' GLN . 0.1 OUTLIER -64.62 -36.27 83.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.44 0.638 . . . . 0.0 109.96 175.208 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -116.01 78.57 1.2 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.787 176.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.523 HG11 ' HG2' ' A' ' 775' ' ' MET . 2.0 m -62.29 -40.93 89.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.344 0.592 . . . . 0.0 109.735 176.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . 0.452 ' HB2' ' H ' ' A' ' 781' ' ' GLN . 0.3 OUTLIER -176.62 -143.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.549 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . 0.452 ' H ' ' HB2' ' A' ' 780' ' ' LEU . 7.9 mt-30 -103.28 -109.42 0.25 Allowed 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 168.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.829 ' HG ' HG13 ' A' ' 783' ' ' ILE . 1.1 pt? -177.51 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 176.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.829 HG13 ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -145.6 -136.67 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-N 114.24 -1.345 . . . . 0.0 107.674 169.585 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.415 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 0.7 OUTLIER -126.23 -40.49 1.98 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.164 0.507 . . . . 0.0 110.833 -179.07 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 789' ' ' GLN . 0.3 OUTLIER -117.27 79.9 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.551 -175.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . 0.401 ' CG ' HD12 ' A' ' 782' ' ' LEU . 0.1 OUTLIER -84.94 -59.47 2.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.144 -177.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.64 17.63 22.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.929 178.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -127.28 -174.3 3.13 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.14 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . 0.508 ' HB2' HG13 ' A' ' 785' ' ' VAL . 0.0 OUTLIER 68.07 76.7 0.26 Allowed 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.886 0.741 . . . . 0.0 110.135 -178.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -80.96 164.13 22.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.891 176.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.41 165.88 11.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.99 0.424 . . . . 0.0 111.224 -176.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . 0.417 HG21 ' N ' ' A' ' 793' ' ' THR . 7.3 p -135.55 143.28 37.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.821 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 793' ' ' THR . . . . . 0.417 ' N ' HG21 ' A' ' 792' ' ' VAL . 4.3 t -141.48 132.68 26.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.001 0.429 . . . . 0.0 110.254 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.75 128.12 55.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -176.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.2 78.43 74.39 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.12 175.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -66.13 -40.6 15.14 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.202 1.934 . . . . 0.0 112.592 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 34.2 mt -140.78 81.07 1.78 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.028 0.442 . . . . 0.0 110.699 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -78.62 -37.07 27.84 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.755 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 160.85 143.39 3.66 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.244 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 21.0 t0 66.14 96.8 0.05 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.485 0.714 . . . . 0.0 111.505 177.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.37 -41.03 90.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.517 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . 0.689 ' HA ' HD21 ' A' ' 805' ' ' LEU . 0.8 OUTLIER -61.27 -47.54 85.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.84 -179.433 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.87 89.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.901 0.381 . . . . 0.0 110.613 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -45.67 74.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.765 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -63.5 -34.24 77.34 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.105 0.479 . . . . 0.0 110.358 179.346 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -68.29 -42.02 80.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.324 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -66.06 -29.24 69.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.817 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 -2.8 58.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.821 0.343 . . . . 0.0 111.218 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 72.07 32.21 63.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.085 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . 0.449 ' HD1' HD11 ' A' ' 813' ' ' LEU . 13.7 m-85 -96.21 0.66 51.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.679 0.276 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.408 ' CE1' HD22 ' A' ' 805' ' ' LEU . 0.1 OUTLIER -59.95 -42.47 94.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -177.684 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . 0.507 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -60.9 -32.24 71.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.57 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . 0.449 HD11 ' HD1' ' A' ' 810' ' ' TYR . 1.4 mt -83.84 -33.78 24.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.071 0.462 . . . . 0.0 109.885 179.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -60.78 -46.16 91.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.626 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . 0.774 HG13 HD23 ' A' ' 890' ' ' LEU . 18.7 m -82.81 -6.17 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.709 -178.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 8.0 t70 -90.65 -72.49 0.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.872 0.368 . . . . 0.0 111.386 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 3.8 t -79.57 -31.15 41.86 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -171.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.668 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 94.0 t -63.58 -55.54 33.78 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.982 -173.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.668 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 38.2 Cg_exo -59.51 -35.43 95.82 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.846 1.697 . . . . 0.0 112.203 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 823' ' ' LYS . 5.4 t0 -71.44 -39.81 70.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.343 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.76 -34.82 74.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.451 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.11 -37.87 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 173.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 820' ' ' ASP . 1.4 mtpt -57.06 -55.43 34.87 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.93 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -64.74 -36.08 83.14 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.92 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.584 ' HG ' HG23 ' A' ' 840' ' ' THR . 1.1 mt -55.14 -48.88 73.07 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.14 0.495 . . . . 0.0 110.209 175.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.412 ' HD1' ' HA ' ' A' ' 826' ' ' TYR . 0.0 OUTLIER -65.42 -42.42 92.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.819 178.842 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 29.9 m -65.52 -42.45 92.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.803 -174.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.477 ' HA ' ' OG1' ' A' ' 831' ' ' THR . 5.8 mm-40 -78.61 -25.13 45.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.001 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 837' ' ' LEU . . . -63.15 -35.84 81.63 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 172.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.61 89.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.833 174.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 831' ' ' THR . . . . . 0.477 ' OG1' ' HA ' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -72.17 -9.74 58.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.572 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.3 m 62.31 32.94 16.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.716 0.77 . . . . 0.0 109.692 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.68 73.65 10.39 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.174 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.515 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 62.1 m-85 -59.65 -29.45 68.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.222 -176.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' A' ' 839' ' ' GLN . . . -64.39 -41.31 96.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.241 0.543 . . . . 0.0 109.953 175.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.31 -36.4 54.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 829' ' ' ALA . 1.8 mt -55.64 -49.21 73.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.113 175.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.7 98.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.118 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 835' ' ' ALA . 64.9 mm-40 -61.96 -45.43 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.845 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.584 HG23 ' HG ' ' A' ' 825' ' ' LEU . 2.3 m -70.78 -37.16 73.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.107 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.41 93.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.056 0.455 . . . . 0.0 109.961 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -40.5 97.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.467 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -59.92 -50.38 73.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.562 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 1.6 tp -67.66 -37.53 82.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.714 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.709 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 10.1 ttmt -61.39 -43.44 98.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.168 176.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.29 76.37 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.681 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.509 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 26.1 m -70.97 -30.31 40.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.865 0.333 . . . . 0.0 111.353 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.409 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 2.8 m-30 -70.87 -46.27 62.93 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.15 -25.57 67.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.242 0.544 . . . . 0.0 110.059 174.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -48.84 31.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.446 175.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 13.6 mt -90.83 19.58 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.196 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 58.93 35.44 24.14 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.102 0.961 . . . . 0.0 112.008 170.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.64 67.66 2.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.644 171.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.496 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -56.9 -54.7 51.48 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.674 -171.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.496 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 51.3 Cg_exo -55.73 -39.2 92.49 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.141 1.894 . . . . 0.0 112.341 177.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.64 -42.42 95.45 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.437 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -42.39 99.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -38.12 77.77 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.221 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.97 -43.15 96.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.339 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 845' ' ' LYS . 34.3 m -64.78 -36.44 84.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.299 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . 0.709 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 2.4 mt-10 -64.14 -48.68 75.09 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.21 0.529 . . . . 0.0 110.173 177.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 862' ' ' THR . . . . . 0.679 ' HB ' ' HE2' ' A' ' 878' ' ' TYR . 2.4 m -64.57 -32.97 74.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.609 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 875' ' ' ILE . 0.5 OUTLIER -60.25 -45.91 91.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.125 174.793 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.19 -43.03 78.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.404 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -65.14 -40.78 94.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.951 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.47 -33.78 76.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.16 0.505 . . . . 0.0 110.3 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.414 HG13 HG12 ' A' ' 875' ' ' ILE . 16.1 mt -68.2 -42.44 84.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.437 0.637 . . . . 0.0 109.56 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.68 -33.38 74.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.54 179.198 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 1.8 tp10 -76.94 -12.85 60.01 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.73 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 65.34 43.71 3.42 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.151 -177.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -99.88 87.82 3.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.596 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 3.4 t -58.83 -50.31 88.67 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.137 -175.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 7.3 Cg_endo -51.5 -45.35 38.15 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.28 1.987 . . . . 0.0 112.375 176.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -63.0 -40.35 99.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.293 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.629 ' HA ' HD22 ' A' ' 863' ' ' LEU . 61.7 mt -59.67 -54.69 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.44 0.162 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -65.56 -34.41 78.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.745 0.307 . . . . 0.0 110.842 -177.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 3.7 mtpp -64.92 -43.44 92.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.411 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.679 ' HE2' ' HB ' ' A' ' 862' ' ' THR . 2.4 m-85 -69.65 -34.11 73.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.737 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.9 -43.5 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 3.8 m -67.61 -31.0 70.73 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.801 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 885' ' ' TYR . 3.8 m-20 -73.78 -35.45 64.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.257 0.551 . . . . 0.0 110.448 178.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 11.2 mt -68.46 -33.42 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.702 174.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -47.29 62.25 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.484 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.7 p -62.5 -38.7 90.92 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.812 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 1.2 t80 -62.81 -55.84 22.74 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.212 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.2 t -62.81 -32.26 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.588 -1.187 . . . . 0.0 110.37 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.85 -43.87 86.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.008 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -25.33 37.3 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.49 -178.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -17.19 34.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.774 HD23 HG13 ' A' ' 815' ' ' VAL . 18.0 mt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.515 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 1.8 ttp . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.667 0.27 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 777' ' ' GLU . 6.8 tp-100 -78.44 121.87 25.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.098 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 776' ' ' GLN . 1.1 mm-40 81.98 -39.35 0.12 Allowed 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.145 0.903 . . . . 0.0 110.859 177.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -126.48 102.31 7.07 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.417 ' H ' HG21 ' A' ' 779' ' ' VAL . 0.0 OUTLIER -69.26 -26.12 31.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.296 177.543 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 2.1 mt 64.37 -155.14 0.3 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.721 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -116.78 160.23 21.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.208 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 12.6 tp -66.89 -59.96 3.06 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.511 HG13 ' HG2' ' A' ' 784' ' ' GLU . 0.1 OUTLIER -132.72 -71.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.511 ' HG2' HG13 ' A' ' 783' ' ' ILE . 7.3 pt-20 -177.72 -36.37 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.371 0.605 . . . . 0.0 109.807 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.462 HG21 ' HG3' ' A' ' 784' ' ' GLU . 0.1 OUTLIER -106.35 81.37 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.299 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 787' ' ' LEU . 0.0 OUTLIER -75.4 49.52 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.735 -175.141 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . 0.476 ' HB3' ' H ' ' A' ' 788' ' ' ALA . 0.3 OUTLIER 169.01 -95.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.301 1.04 . . . . 0.0 108.447 178.814 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . 0.476 ' H ' ' HB3' ' A' ' 787' ' ' LEU . . . -178.77 116.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.254 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -82.62 155.18 24.55 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' A' ' 790' ' ' GLU . 3.0 pt-20 -86.59 116.42 24.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.733 0.778 . . . . 0.0 111.054 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -118.31 -20.6 8.46 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.697 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 1.3 m -65.36 136.94 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.513 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 2.0 p -84.93 -51.04 7.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.209 0.528 . . . . 0.0 110.429 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -134.82 170.92 15.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.603 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.71 112.03 51.18 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.84 72.75 1.94 Allowed 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.57 2.18 . . . . 0.0 111.135 173.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.49 -129.26 1.37 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.75 -174.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 73.67 16.19 79.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.379 174.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 75.49 30.98 57.54 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.701 177.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -107.37 15.87 24.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.388 0.614 . . . . 0.0 110.256 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 805' ' ' LEU . 25.5 mp0 -60.26 -46.28 90.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.482 -175.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -70.38 -42.09 72.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.003 0.43 . . . . 0.0 110.633 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.37 75.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.858 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -64.84 -38.11 89.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.918 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 801' ' ' GLU . 0.0 OUTLIER -61.88 -43.06 99.61 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -177.443 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.422 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 1.1 p80 -80.94 -21.32 40.53 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.827 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -72.11 -40.48 68.12 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.752 0.311 . . . . 0.0 111.318 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.1 p -78.4 -15.95 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.964 0.411 . . . . 0.0 110.796 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.93 26.02 30.31 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.712 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 8.1 m-30 -92.58 11.97 24.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.068 0.461 . . . . 0.0 110.723 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -40.14 86.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.117 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.43 76.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 -177.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' A' ' 813' ' ' LEU . 47.6 mt -70.16 -33.55 71.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.066 0.46 . . . . 0.0 110.302 179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.401 ' CD1' HG22 ' A' ' 818' ' ' VAL . 32.2 t80 -65.48 -52.57 51.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.075 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.5 -25.16 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.835 -175.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . 0.584 ' O ' ' HB ' ' A' ' 817' ' ' THR . 1.3 t0 -100.26 52.35 0.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.637 -177.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 817' ' ' THR . . . . . 0.584 ' HB ' ' O ' ' A' ' 816' ' ' ASP . 3.6 t 173.9 -45.77 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.452 170.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.694 HG13 HG23 ' A' ' 886' ' ' VAL . 95.0 t -65.3 -61.75 5.6 Favored Pre-proline 0 CA--C 1.535 0.384 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -171.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.447 ' CD ' ' HB ' ' A' ' 818' ' ' VAL . 19.3 Cg_endo -60.31 -35.15 92.54 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.783 1.656 . . . . 0.0 112.107 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.25 -38.28 75.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.864 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.54 -29.68 66.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.024 177.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 36.5 t -64.23 -45.57 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.367 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -64.81 -36.19 83.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.159 0.504 . . . . 0.0 109.99 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 2.9 ttm180 -61.32 -47.17 87.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.841 175.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.714 ' HG ' HG23 ' A' ' 840' ' ' THR . 16.5 mt -52.68 -45.9 67.02 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.295 0.372 . . . . 0.0 110.329 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.549 ' CE1' HG23 ' A' ' 879' ' ' ILE . 8.4 m-85 -55.35 -44.17 75.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 110.481 176.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 17.2 m -67.57 -46.26 73.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.162 -176.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 30.9 mm-40 -74.13 -32.49 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -176.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' A' ' 825' ' ' LEU . . . -67.54 -36.67 81.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.729 0.299 . . . . 0.0 110.551 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.22 92.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.211 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 -7.3 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.444 178.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 59.6 m 66.9 36.88 4.18 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.333 0.587 . . . . 0.0 110.705 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -81.46 75.94 8.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.526 0.679 . . . . 0.0 109.279 175.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 64.1 m-85 -62.82 -24.56 67.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.429 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.58 86.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.247 0.546 . . . . 0.0 110.087 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.23 -35.27 55.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.809 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.526 HD21 HG12 ' A' ' 867' ' ' ILE . 1.2 tp -57.04 -43.41 81.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.476 174.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.31 87.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.856 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -59.24 -46.11 89.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.714 HG23 ' HG ' ' A' ' 825' ' ' LEU . 6.2 m -64.97 -44.42 89.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.011 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.53 83.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.546 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -63.17 -43.94 96.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.693 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -42.99 99.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.327 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.467 ' HB3' ' SG ' ' A' ' 860' ' ' CYS . 7.3 mt -66.64 -52.56 43.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.508 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.474 ' HB3' ' HB2' ' A' ' 860' ' ' CYS . 19.6 ptmt -57.84 -40.64 80.57 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -69.97 -47.4 46.79 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.689 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.54 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 3.5 p -69.31 -31.95 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.903 0.352 . . . . 0.0 111.267 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.484 ' HD2' ' HB3' ' A' ' 853' ' ' LEU . 5.3 m-85 -68.24 -44.2 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . 0.73 ' HB3' ' HD2' ' A' ' 857' ' ' LYS . . . -60.92 -33.65 73.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.444 175.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -38.08 68.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.946 178.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 67.5 mt -79.94 -5.77 56.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.656 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 81.02 16.01 0.57 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.853 174.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.484 ' HB3' ' HD2' ' A' ' 848' ' ' PHE . 0.3 OUTLIER -87.57 72.91 9.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.328 175.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.416 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.1 OUTLIER -49.62 -56.38 17.17 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.722 -175.309 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.416 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 50.3 Cg_exo -55.11 -35.53 90.79 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.162 1.908 . . . . 0.0 112.409 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.58 -41.35 94.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.989 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . 0.73 ' HD2' ' HB3' ' A' ' 849' ' ' ALA . 13.6 tttp -61.78 -42.57 99.16 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -61.94 -36.11 80.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.563 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -44.51 96.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.16 176.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . 0.474 ' HB2' ' HB3' ' A' ' 845' ' ' LYS . 13.9 m -70.51 -26.68 63.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.261 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.39 -53.66 48.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.253 0.549 . . . . 0.0 109.888 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 862' ' ' THR . . . . . 0.615 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 58.0 m -64.8 -30.65 71.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.607 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' A' ' 878' ' ' TYR . 0.0 OUTLIER -60.04 -53.33 59.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.818 176.34 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . 0.531 ' HG3' ' N ' ' A' ' 865' ' ' HIS . 0.4 OUTLIER -61.81 -33.55 74.32 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.941 0.4 . . . . 0.0 110.264 179.762 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . 0.531 ' N ' ' HG3' ' A' ' 864' ' ' GLU . 20.9 t60 -66.47 -42.27 87.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.226 176.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 871' ' ' ASP . 22.7 mt -65.6 -41.41 92.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.769 0.318 . . . . 0.0 110.519 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.744 ' HA ' HD12 ' A' ' 875' ' ' ILE . 20.0 mt -62.04 -43.89 98.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 110.175 176.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -28.65 68.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.379 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.75 2.86 56.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.623 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 61.27 29.6 18.75 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.512 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . 0.547 ' HB3' HD21 ' A' ' 866' ' ' LEU . 0.6 OUTLIER -88.95 72.6 8.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.148 -179.247 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.552 ' HA ' HD13 ' A' ' 875' ' ' ILE . 16.2 t -54.26 -48.78 93.47 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.468 -177.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.2 Cg_endo -55.63 -40.38 85.67 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.055 1.837 . . . . 0.0 112.193 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -66.94 -42.5 92.71 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.897 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 867' ' ' ILE . 55.7 mt -57.12 -52.05 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 CA-C-O 120.779 0.323 . . . . 0.0 110.461 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.57 -50.05 68.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.6 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -58.44 -49.12 78.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.296 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.615 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.1 OUTLIER -67.33 -32.4 73.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.302 -176.43 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.549 HG23 ' CE1' ' A' ' 826' ' ' TYR . 69.2 mt -65.12 -40.19 88.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.586 176.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -31.93 72.99 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.056 0.455 . . . . 0.0 110.54 176.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.28 -36.48 74.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.216 0.531 . . . . 0.0 110.136 176.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . 0.431 HD13 HD21 ' A' ' 863' ' ' LEU . 8.0 mt -68.13 -33.65 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.219 0.533 . . . . 0.0 109.876 173.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -45.57 65.83 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.55 -176.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.1 p -62.79 -37.28 86.07 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.75 177.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . 0.421 ' HD1' ' HA ' ' A' ' 885' ' ' TYR . 0.1 OUTLIER -62.48 -58.38 7.8 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.926 178.094 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.694 HG23 HG13 ' A' ' 818' ' ' VAL . 1.4 t -64.2 -34.49 69.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.856 -176.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -56.11 -49.51 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.48 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.3 m -81.39 -13.58 58.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.649 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.71 -35.48 22.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.51 0.195 . . . . 0.0 111.322 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 95.6 mt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.009 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 775' ' ' MET . . . . . 0.495 ' O ' ' HB3' ' A' ' 776' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . 0.495 ' HB3' ' O ' ' A' ' 775' ' ' MET . 17.3 tt0 75.19 -45.28 0.56 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.614 0.766 . . . . 0.0 111.994 -178.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -64.88 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.314 0.578 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -138.68 -27.23 0.85 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.523 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.493 HG13 ' HG ' ' A' ' 780' ' ' LEU . 60.5 t 72.91 -67.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.731 -178.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . 0.493 ' HG ' HG13 ' A' ' 779' ' ' VAL . 9.9 mt -118.47 -161.15 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -86.31 -45.75 10.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.578 ' HG ' ' N ' ' A' ' 783' ' ' ILE . 1.9 pt? -173.71 -48.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.175 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.578 ' N ' ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -175.34 -19.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 -179.264 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 67.2 35.66 4.38 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.351 173.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.465 HG23 HD13 ' A' ' 783' ' ' ILE . 27.6 m -108.16 26.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.989 176.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -45.5 -56.95 4.51 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.423 -171.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 4.6 mt -109.42 35.79 3.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.793 0.33 . . . . 0.0 110.693 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . 0.439 ' C ' ' HG3' ' A' ' 789' ' ' GLN . . . -143.19 -73.07 0.29 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.182 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . 0.472 ' HB2' ' H ' ' A' ' 790' ' ' GLU . 0.0 OUTLIER 38.59 -137.82 0.07 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.992 0.917 . . . . 0.0 111.99 -175.494 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.472 ' H ' ' HB2' ' A' ' 789' ' ' GLN . 2.7 pt-20 -143.57 140.12 30.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.803 177.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' A' ' 791' ' ' GLU . 1.4 pt-20 -90.21 148.66 22.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 -177.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . 0.699 HG22 ' HG2' ' A' ' 794' ' ' GLU . 13.0 m -133.19 140.68 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.357 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 1.9 m -76.32 65.7 2.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.249 0.547 . . . . 0.0 111.266 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . 0.699 ' HG2' HG22 ' A' ' 792' ' ' VAL . 0.6 OUTLIER -120.41 -22.79 6.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.252 0.548 . . . . 0.0 110.398 176.764 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.99 -49.05 83.07 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.667 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.57 129.18 12.49 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.755 1.636 . . . . 0.0 111.254 172.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . 0.566 HD21 ' HB3' ' A' ' 804' ' ' GLN . 0.0 OUTLIER -74.7 88.63 2.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.066 0.46 . . . . 0.0 110.896 -177.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -90.65 -25.95 24.02 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.702 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -139.41 120.93 1.96 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 8.0 t0 67.26 92.66 0.08 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.546 0.689 . . . . 0.0 111.179 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 805' ' ' LEU . 36.3 mp0 -64.54 -44.46 90.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.154 -177.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . 0.502 ' HA ' HD21 ' A' ' 805' ' ' LEU . 1.9 t-20 -64.81 -44.26 90.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.945 -176.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . 0.47 ' O ' ' HD2' ' A' ' 806' ' ' HIS . . . -60.88 -51.13 70.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.612 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . 0.566 ' HB3' HD21 ' A' ' 797' ' ' LEU . 0.8 OUTLIER -60.69 -45.73 93.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.304 -179.262 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -67.23 -39.52 86.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.064 -174.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.552 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 0.1 OUTLIER -81.82 -23.89 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.284 -0.566 . . . . 0.0 111.164 -178.309 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -75.83 -37.31 59.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.646 0.26 . . . . 0.0 110.934 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.4 p -68.41 -24.41 64.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.988 0.423 . . . . 0.0 110.796 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 99.13 16.83 29.07 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.168 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . 0.435 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 1.9 m-30 -95.91 3.59 53.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.921 0.391 . . . . 0.0 110.897 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.552 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 2.7 t80 -61.3 -42.4 98.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.697 176.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . 0.575 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -59.45 -43.24 93.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.992 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -43.0 83.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.183 0.516 . . . . 0.0 110.359 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.448 ' HE1' HG23 ' A' ' 886' ' ' VAL . 1.4 t80 -62.0 -43.78 98.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.327 -177.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . 0.432 HG11 ' CD2' ' A' ' 814' ' ' PHE . 24.8 m -80.26 -22.65 11.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.708 -177.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . 0.575 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 2.8 t0 -84.94 -44.85 12.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.271 0.558 . . . . 0.0 111.608 -176.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 54.5 m -88.22 -56.78 3.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.712 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.678 HG13 HG22 ' A' ' 886' ' ' VAL . 22.1 t -56.99 -57.17 26.36 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -166.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.649 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 44.0 Cg_exo -57.01 -32.33 92.78 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.191 1.927 . . . . 0.0 113.293 -176.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -74.86 -39.62 61.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.077 0.465 . . . . 0.0 109.896 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -37.95 78.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.859 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 819' ' ' PRO . 6.3 m -71.52 -32.16 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.421 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -62.46 -44.94 95.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.079 0.466 . . . . 0.0 109.786 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -60.38 -45.82 92.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.246 175.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.7 mt -55.49 -47.46 76.13 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.739 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -46.87 86.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.323 0.582 . . . . 0.0 111.075 177.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 86.2 m -65.61 -45.1 84.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.472 -174.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -24.24 49.15 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.416 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.6 91.53 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.98 95.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.926 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -11.19 59.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.05 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 65.12 36.27 7.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -81.47 74.27 8.47 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 70.7 m-85 -58.72 -32.18 68.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.231 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.38 94.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.252 0.548 . . . . 0.0 109.772 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.97 58.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.828 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.4 OUTLIER -57.54 -49.83 75.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.242 177.329 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 842' ' ' HIS . . . -62.94 -40.93 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.94 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -64.18 -45.43 88.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.395 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.2 m -67.87 -42.98 80.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.205 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . 0.566 ' HB2' ' HB3' ' A' ' 864' ' ' GLU . . . -64.58 -37.0 86.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 0.0 110.643 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 838' ' ' ALA . 7.4 t60 -60.45 -47.18 87.23 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.199 175.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -42.1 99.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.641 178.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.539 ' HA ' HG13 ' A' ' 847' ' ' VAL . 5.3 mt -64.51 -41.56 96.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.671 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -40.05 92.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.081 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.85 -43.82 81.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.802 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.539 HG13 ' HA ' ' A' ' 844' ' ' LEU . 9.1 p -73.48 -35.99 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.788 0.294 . . . . 0.0 111.405 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.534 ' N ' HG11 ' A' ' 847' ' ' VAL . 6.3 m-85 -67.38 -40.56 85.71 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . 0.5 ' HB3' ' HD2' ' A' ' 857' ' ' LYS . . . -63.35 -33.99 76.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.489 174.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 8.5 tpt -64.35 -45.52 87.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.536 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 11.0 mt -71.86 -12.75 61.43 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.554 177.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.4 m-80 76.93 24.85 0.87 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.327 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.68 86.08 7.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.361 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.724 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 3.3 t -52.01 -57.92 13.22 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.75 -175.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.724 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 32.2 Cg_exo -60.38 -35.23 91.87 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.941 1.761 . . . . 0.0 112.411 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.89 -47.2 76.9 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.539 177.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . 0.5 ' HD2' ' HB3' ' A' ' 849' ' ' ALA . 3.8 tttt -62.52 -39.09 92.42 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -44.18 77.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.674 177.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.88 -48.41 80.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.63 177.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 55.5 m -62.11 -41.51 98.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.014 -178.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.92 -47.35 86.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.178 0.513 . . . . 0.0 110.295 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 862' ' ' THR . . . . . 0.424 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 8.5 m -64.97 -36.06 83.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.796 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.796 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -59.46 -53.66 55.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . 0.749 ' HA ' HD11 ' A' ' 867' ' ' ILE . 7.1 pt-20 -65.09 -32.34 74.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.54 -178.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.21 -43.56 97.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.79 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 862' ' ' THR . 78.0 mt -64.67 -31.46 72.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.401 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.749 HD11 ' HA ' ' A' ' 864' ' ' GLU . 15.8 mt -74.05 -42.29 52.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.338 0.59 . . . . 0.0 109.549 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -61.4 -35.19 76.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.545 177.473 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.496 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 11.7 mm-40 -89.58 2.91 54.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.721 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.89 43.27 30.22 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.083 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -85.94 72.82 10.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.531 ' O ' ' HG3' ' A' ' 876' ' ' GLU . 2.4 t -48.01 -57.03 11.29 Favored Pre-proline 0 N--CA 1.467 0.378 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -173.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 13.0 Cg_endo -56.47 -40.07 87.02 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.065 1.843 . . . . 0.0 112.001 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.55 -35.47 86.57 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.106 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 867' ' ' ILE . 61.5 mt -60.19 -55.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 872' ' ' VAL . 0.0 OUTLIER -59.59 -41.37 90.11 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.377 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -59.3 -48.96 79.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.061 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.796 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.5 OUTLIER -69.76 -33.48 72.48 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.406 -177.702 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.55 -41.17 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 9.6 m -65.43 -32.12 73.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.839 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 885' ' ' TYR . 0.4 OUTLIER -68.58 -38.65 80.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.816 -179.725 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 60.9 mt -70.71 -34.07 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.232 0.539 . . . . 0.0 109.87 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.86 -45.34 64.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.607 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 6.8 p -62.83 -39.78 95.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.042 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . 0.427 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 0.5 OUTLIER -60.74 -57.43 12.7 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.223 1.011 . . . . 0.0 109.889 -179.663 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.678 HG22 HG13 ' A' ' 818' ' ' VAL . 1.6 t -60.26 -36.45 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 CA-C-N 113.515 -1.675 . . . . 0.0 110.717 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -47.7 83.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.442 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.41 69.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 111.148 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.31 -16.24 38.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.074 -177.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 13.4 mt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.189 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 775' ' ' MET . . . . . 0.474 ' O ' ' HG2' ' A' ' 776' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . 0.697 ' O ' ' HB2' ' A' ' 777' ' ' GLU . 4.0 pm0 45.26 27.37 0.33 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.649 1.18 . . . . 0.0 113.698 175.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.697 ' HB2' ' O ' ' A' ' 776' ' ' GLN . 1.4 tm-20 147.77 -61.32 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.798 1.239 . . . . 0.0 108.648 -176.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -176.93 125.31 0.15 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.257 -1.338 . . . . 0.0 107.878 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.26 112.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.113 0.483 . . . . 0.0 111.472 -176.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.69 176.7 4.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.436 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -110.99 -178.48 3.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.472 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 17.9 tp -93.47 91.59 7.21 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.678 HG21 ' HG2' ' A' ' 784' ' ' GLU . 8.7 mm 59.39 -85.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.242 -171.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.853 ' HG3' HG23 ' A' ' 785' ' ' VAL . 10.3 pt-20 175.97 -26.24 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.358 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.853 HG23 ' HG3' ' A' ' 784' ' ' GLU . 0.2 OUTLIER -153.95 120.65 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -176.209 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.0 -51.45 66.8 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.38 173.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -170.62 29.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.174 175.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -84.05 39.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.461 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . 0.667 HE21 HG22 ' A' ' 785' ' ' VAL . 17.5 mt-30 -138.39 121.13 16.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.272 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 62.19 -135.22 0.51 Allowed 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 124.05 0.844 . . . . 0.0 111.845 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 62.56 88.18 0.1 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.596 0.56 . . . . 0.0 110.823 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.04 133.83 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.894 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.24 107.27 18.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.82 178.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -147.8 167.4 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.3 115.78 24.8 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 122.528 0.331 . . . . 0.0 111.015 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.79 -12.46 28.76 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.572 2.181 . . . . 0.0 111.97 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . 0.465 ' HA ' HG22 ' A' ' 854' ' ' VAL . 0.3 OUTLIER -161.99 -53.53 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.041 176.629 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 138.61 -63.31 0.56 Allowed Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.134 177.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 93.51 -9.36 74.12 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -138.64 24.21 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.866 -0.667 . . . . 0.0 109.685 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.484 ' O ' ' HB3' ' A' ' 805' ' ' LEU . 3.2 mp0 -47.5 -51.55 20.18 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -169.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -65.79 -40.18 91.68 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.602 -174.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -74.48 -38.94 62.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.31 0.576 . . . . 0.0 110.285 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.72 -46.87 83.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.24 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.484 ' HB3' ' O ' ' A' ' 801' ' ' GLU . 0.0 OUTLIER -66.99 -28.96 68.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.472 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.567 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 7.3 t-160 -66.88 -39.66 87.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.541 175.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -81.4 -36.58 29.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.88 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' SER . . . . . 0.431 ' OG ' ' HA ' ' A' ' 805' ' ' LEU . 29.3 p -65.08 -25.88 67.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.064 0.459 . . . . 0.0 111.009 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 98.0 7.52 56.25 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.615 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . 0.622 ' HB3' HD21 ' A' ' 851' ' ' LEU . 4.4 m-30 -84.04 -9.5 58.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 0.0 110.281 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.567 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 19.5 t80 -55.8 -39.48 71.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.903 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.15 -36.58 77.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.195 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 3.5 mt -77.86 -38.74 45.34 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.483 ' HB2' HD12 ' A' ' 805' ' ' LEU . 30.8 t80 -56.86 -49.3 75.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.403 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 22.0 m -78.54 -3.99 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.744 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -97.34 -49.74 4.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.6 p -76.18 -60.57 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.736 -174.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.781 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 21.3 t -58.16 -60.62 9.55 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -170.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.781 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 54.4 Cg_exo -53.11 -48.82 20.05 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.333 2.022 . . . . 0.0 112.969 -177.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.507 ' HA ' ' HD2' ' A' ' 823' ' ' LYS . 32.1 t70 -64.1 -45.49 88.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.991 -178.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . 0.555 ' HA ' ' HB2' ' A' ' 824' ' ' ARG . 3.9 m-20 -72.1 -19.94 61.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.871 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . 0.549 HG23 HG22 ' A' ' 882' ' ' ILE . 3.0 t -68.43 -47.75 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 173.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.507 ' HD2' ' HA ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -63.52 -37.75 88.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.21 0.528 . . . . 0.0 109.709 174.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.69 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 13.5 mtm105 -61.03 -48.94 79.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.724 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.603 ' HG ' HG23 ' A' ' 840' ' ' THR . 7.0 mt -51.34 -47.02 62.85 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.387 0.429 . . . . 0.0 110.574 176.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.463 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 13.6 m-85 -51.97 -45.71 64.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.376 0.608 . . . . 0.0 110.044 174.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 16.3 m -68.55 -46.12 70.34 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.429 -176.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.69 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 0.0 OUTLIER -70.82 -33.97 71.23 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.596 -179.328 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.77 90.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.705 0.288 . . . . 0.0 110.636 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.89 71.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.631 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 23.0 m -84.52 -13.33 52.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.693 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 63.48 31.63 14.79 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.554 0.692 . . . . 0.0 110.403 -178.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -87.43 75.88 9.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.338 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.55 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 44.8 m-85 -63.09 -24.47 67.92 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.87 -177.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.57 97.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.295 0.569 . . . . 0.0 109.632 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -73.7 -37.99 65.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.637 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.55 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 1.2 tp -55.67 -47.51 76.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.533 175.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.97 97.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.007 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -63.2 -43.61 97.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.603 HG23 ' HG ' ' A' ' 825' ' ' LEU . 96.5 m -64.69 -45.71 85.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -59.67 -40.08 86.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.823 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -65.91 -42.89 89.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.725 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -62.75 -45.33 93.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.599 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 844' ' ' LEU . 8.5 mt -69.14 -39.97 78.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.443 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -56.3 -45.15 80.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.304 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.85 -38.08 84.69 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.058 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.569 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 4.8 t -61.99 -51.26 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.625 0.25 . . . . 0.0 110.803 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -59.82 -47.63 84.94 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.89 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 111.384 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -35.72 75.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.681 ' HB2' ' HG ' ' A' ' 853' ' ' LEU . 9.1 mt -81.4 -9.67 59.68 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 79.49 21.65 0.59 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.291 0.995 . . . . 0.0 109.758 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.681 ' HG ' ' HB2' ' A' ' 851' ' ' LEU . 13.8 mt -83.84 70.02 10.33 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.978 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.645 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 46.4 t -53.26 -53.01 60.8 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.838 -174.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.645 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 54.0 Cg_exo -54.33 -37.92 88.79 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.057 1.838 . . . . 0.0 112.313 177.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.26 -44.61 85.42 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.764 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -38.59 89.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -44.25 81.13 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.305 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.778 ' HB3' ' HE1' ' A' ' 878' ' ' TYR . 13.2 mt -60.18 -46.14 90.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.359 176.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 83.2 m -64.0 -30.84 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.323 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -60.64 -50.34 73.91 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -39.21 85.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.981 176.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.769 ' HG ' ' CD2' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -62.13 -49.03 77.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.994 179.518 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.95 -38.79 70.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.384 0.611 . . . . 0.0 110.062 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 37.6 t60 -67.3 -42.27 83.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.667 176.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . 0.605 HD23 ' HA3' ' A' ' 874' ' ' GLY . 19.9 mt -62.36 -36.03 80.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.744 0.307 . . . . 0.0 110.662 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 17.7 mt -72.09 -38.31 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.312 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.583 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.79 -28.32 67.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.73 178.6 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.583 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 1.5 mm-40 -98.0 -0.82 43.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.63 -178.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? 54.72 46.68 24.13 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.28 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . 0.426 ' HB3' HD21 ' A' ' 866' ' ' LEU . 12.6 t0 -92.32 83.8 5.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.775 178.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.751 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 21.8 t -51.5 -56.37 21.31 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.479 -176.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.751 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.1 Cg_exo -54.85 -41.83 74.61 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.46 2.107 . . . . 0.0 112.377 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . 0.605 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -62.41 -39.58 97.96 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.077 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.594 ' O ' HG13 ' A' ' 879' ' ' ILE . 61.6 mt -66.17 -53.53 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.385 0.136 . . . . 0.0 111.221 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . 0.641 ' HA ' HD13 ' A' ' 879' ' ' ILE . 1.5 pt-20 -63.11 -42.22 99.52 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.752 0.311 . . . . 0.0 110.986 -176.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -40.25 84.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.807 176.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.778 ' HE1' ' HB3' ' A' ' 859' ' ' LEU . 51.1 t80 -60.54 -43.9 96.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.969 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.641 HD13 ' HA ' ' A' ' 876' ' ' GLU . 6.8 mt -61.15 -41.06 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.903 -178.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -35.4 80.59 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.579 176.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.95 -33.12 51.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.717 -176.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . 0.549 HG22 HG23 ' A' ' 822' ' ' VAL . 12.6 tt -74.81 -31.39 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.814 0.34 . . . . 0.0 110.208 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.56 -44.52 74.29 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.1 p -66.94 -35.39 79.88 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.719 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . 0.415 ' OH ' ' HB2' ' A' ' 855' ' ' PRO . 24.0 t80 -57.52 -58.57 7.72 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.041 0.924 . . . . 0.0 110.731 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.586 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 7.3 p -67.81 -31.29 51.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 114.11 -1.405 . . . . 0.0 110.765 -174.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . 0.512 ' HA ' HD11 ' A' ' 890' ' ' LEU . 12.5 mtmt -72.05 -28.85 63.62 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.2 p -84.36 -25.17 29.35 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.328 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.3 -25.43 42.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.058 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 47.7 mt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.299 -0.857 . . . . 0.0 110.925 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.31 -32.82 0.24 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.385 0.674 . . . . 0.0 111.934 177.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.94 -36.25 49.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.184 0.516 . . . . 0.0 110.175 177.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -142.19 71.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.766 176.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.411 HG23 ' OE1' ' A' ' 781' ' ' GLN . 7.3 p -104.67 130.31 55.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.432 -178.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . 0.518 HD11 HD22 ' A' ' 782' ' ' LEU . 0.0 OUTLIER -110.13 111.94 23.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.043 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . 0.411 ' OE1' HG23 ' A' ' 779' ' ' VAL . 22.6 mm100 -73.04 -1.79 18.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.315 -175.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.719 ' HG ' ' N ' ' A' ' 783' ' ' ILE . 0.1 OUTLIER -54.13 -42.83 69.92 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 171.16 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.719 ' N ' ' HG ' ' A' ' 782' ' ' LEU . 0.7 OUTLIER -112.25 60.57 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 CA-C-N 113.782 -1.553 . . . . 0.0 107.581 174.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.26 -23.47 9.01 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.175 -177.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.22 20.2 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.912 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . 0.699 ' HA ' ' HB ' ' A' ' 783' ' ' ILE . 0.4 OUTLIER 52.23 -117.06 1.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.829 -175.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . 0.414 ' H ' ' HB3' ' A' ' 786' ' ' GLN . 0.0 OUTLIER -96.68 -26.79 15.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.065 0.46 . . . . 0.0 110.302 179.395 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -175.87 158.42 2.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.241 -0.891 . . . . 0.0 108.985 -177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -78.87 123.03 26.82 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.322 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.96 -161.98 1.23 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.153 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.5 127.65 44.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.813 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.84 125.86 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 173.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.28 39.06 1.08 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.002 -170.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . 0.44 ' C ' ' HG ' ' A' ' 795' ' ' SER . 2.2 mm-40 -165.34 172.93 11.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.686 176.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 795' ' ' SER . . . . . 0.513 ' HB2' HG23 ' A' ' 854' ' ' VAL . 1.5 m -156.91 86.12 2.87 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.8 96.88 1.11 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.517 2.145 . . . . 0.0 113.329 -175.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . 0.5 HD23 ' H ' ' A' ' 797' ' ' LEU . 0.5 OUTLIER -74.98 -53.87 8.19 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 172.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 139.46 -18.03 3.07 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.607 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 105.08 30.52 4.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.678 -0.773 . . . . 0.0 111.387 -176.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.24 27.36 3.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -176.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -54.33 -53.38 54.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.347 -171.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -32.08 71.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.833 0.349 . . . . 0.0 110.663 -176.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -71.5 -51.4 23.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.186 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -67.26 -37.7 83.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.67 0.271 . . . . 0.0 110.625 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.491 HD22 ' CD2' ' A' ' 811' ' ' TYR . 1.6 tp -63.06 -38.59 91.78 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.083 0.468 . . . . 0.0 109.97 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.591 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 3.0 t-160 -68.43 -53.51 23.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.731 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.06 95.78 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 21.5 m -75.84 3.52 9.85 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.521 -178.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 79.63 -6.68 57.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.119 -0.563 . . . . 0.0 113.766 172.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.53 1.17 23.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.29 0.566 . . . . 0.0 110.923 -177.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.591 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 8.8 t80 -59.96 -27.34 66.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.687 170.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.88 80.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.521 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -33.84 71.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.468 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.413 ' HE2' ' HB3' ' A' ' 889' ' ' LEU . 2.2 t80 -58.57 -43.85 89.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.819 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 7.0 m -98.0 12.6 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.046 0.451 . . . . 0.0 111.023 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -90.47 -61.69 1.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.939 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 817' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 821' ' ' ASP . 0.3 OUTLIER -112.57 -30.87 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.399 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.767 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 80.8 t -53.11 -58.82 10.86 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -172.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.767 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 17.1 Cg_exo -67.4 -41.84 8.33 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 121.898 1.732 . . . . 0.0 112.251 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.12 -43.03 93.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.101 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . 0.449 ' HA ' ' HB2' ' A' ' 824' ' ' ARG . 1.6 m-20 -76.83 -28.08 55.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.2 t -65.12 -38.19 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 173.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -67.68 -36.04 79.94 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.705 174.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.449 ' HB2' ' HA ' ' A' ' 821' ' ' ASP . 26.8 mtm-85 -61.12 -45.93 92.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.988 175.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.555 HD22 ' HG ' ' A' ' 837' ' ' LEU . 0.5 OUTLIER -54.2 -44.97 72.06 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.279 175.739 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -62.3 -40.51 96.52 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.1 m -68.38 -41.24 80.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.271 0.558 . . . . 0.0 110.259 -175.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -79.69 -24.67 41.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.217 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.45 75.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.917 0.389 . . . . 0.0 110.038 174.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.25 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.311 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -18.49 48.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.114 177.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 11.1 m 67.91 31.72 5.53 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.917 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -83.72 74.73 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.229 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.751 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 28.3 m-85 -69.25 -15.18 63.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.474 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -69.6 -43.4 72.86 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -71.96 -36.5 69.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.528 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.751 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.3 OUTLIER -57.66 -46.16 84.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.475 175.526 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.3 95.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.798 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.01 -45.27 93.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 111.165 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.2 m -64.93 -42.48 94.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.948 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.18 -31.76 73.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.613 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -61.8 -46.3 90.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.054 175.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -63.42 -42.18 98.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.402 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -44.19 94.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.75 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -39.23 80.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -65.36 -46.98 84.06 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.766 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.458 ' O ' ' HB3' ' A' ' 850' ' ' MET . 8.4 m -70.81 -37.42 68.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.878 0.339 . . . . 0.0 111.571 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.33 -40.4 81.64 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -67.1 -32.48 73.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.282 174.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 850' ' ' MET . . . . . 0.458 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 6.7 ttt -56.35 -51.01 69.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.796 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -7.79 58.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.65 178.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.26 37.08 11.37 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.054 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.67 82.69 3.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.274 176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.77 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 2.4 t -44.33 -61.71 1.94 Allowed Pre-proline 0 N--CA 1.469 0.51 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -170.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.77 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 47.8 Cg_exo -56.36 -39.73 89.35 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.811 1.674 . . . . 0.0 112.282 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -71.73 -40.1 59.0 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.203 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -32.94 73.32 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -68.48 -38.6 81.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.029 175.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.46 -42.85 97.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.185 175.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 58.8 m -67.32 -39.25 85.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -55.33 -53.43 56.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.416 0.627 . . . . 0.0 110.023 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -31.04 71.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.128 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.54 -52.02 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.6 0.238 . . . . 0.0 110.446 177.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.65 -35.7 76.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.054 0.454 . . . . 0.0 110.362 178.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . 0.498 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 12.5 t60 -67.59 -36.1 80.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.848 176.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . 0.541 HD21 ' HB3' ' A' ' 871' ' ' ASP . 12.9 mt -75.26 -33.35 61.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.646 0.26 . . . . 0.0 110.538 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 71.3 mt -71.17 -37.52 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.077 0.465 . . . . 0.0 110.067 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.51 ' HE ' ' HB2' ' A' ' 868' ' ' ARG . 0.0 OUTLIER -67.63 -35.65 79.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.281 178.077 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.487 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 9.5 mm-40 -85.79 -3.51 58.92 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt 54.89 55.11 8.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.017 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . 0.541 ' HB3' HD21 ' A' ' 866' ' ' LEU . 21.0 t0 -113.1 89.11 3.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.227 179.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.625 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 26.4 t -55.08 -52.68 69.12 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -175.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.625 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 77.7 Cg_exo -52.1 -43.74 50.72 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.219 1.946 . . . . 0.0 112.61 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . 0.417 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -65.93 -44.99 90.72 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.68 -0.772 . . . . 0.0 111.601 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.529 ' O ' HG13 ' A' ' 879' ' ' ILE . 60.3 mt -57.48 -49.93 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 110.454 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.51 -54.25 43.52 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.059 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . 0.416 ' HZ3' ' CG ' ' A' ' 881' ' ' ASP . 0.0 OUTLIER -58.83 -41.3 86.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.201 -177.721 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -73.35 -32.83 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.736 -175.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 875' ' ' ILE . 75.2 mt -64.29 -39.86 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.798 174.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -29.28 66.78 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.418 177.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . 0.416 ' CG ' ' HZ3' ' A' ' 877' ' ' LYS . 2.2 m-20 -70.65 -35.96 73.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.536 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.51 -33.49 57.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.171 0.51 . . . . 0.0 110.017 173.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.77 -42.06 67.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.613 0.72 . . . . 0.0 109.508 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.9 p -70.26 -29.95 66.86 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.984 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -59.28 -57.55 12.54 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.913 0.863 . . . . 0.0 110.316 176.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.444 HG11 ' N ' ' A' ' 887' ' ' LYS . 4.2 p -64.69 -31.35 53.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.669 -177.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . 0.444 ' N ' HG11 ' A' ' 886' ' ' VAL . 0.0 OUTLIER -73.5 -26.97 61.12 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.642 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 2.5 p -89.73 -24.06 21.64 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . 0.413 ' HB3' ' HE2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -83.06 -21.5 33.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.351 177.079 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.505 ' HA ' ' OH ' ' A' ' 811' ' ' TYR . 14.6 mt . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.134 171.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 775' ' ' MET . . . . . 0.401 ' HG2' ' HA ' ' A' ' 779' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.979 0.419 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.95 -81.01 0.51 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.616 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -39.77 21.39 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -92.67 71.12 4.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.23 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.401 ' HA ' ' HG2' ' A' ' 775' ' ' MET . 17.6 t -67.41 -52.98 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.582 176.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.6 137.12 33.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.519 176.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -95.26 -171.08 2.31 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 8.3 tp -146.3 113.46 6.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.179 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 21.9 mt 70.19 -71.44 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 O-C-N 123.825 0.703 . . . . 0.0 110.872 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -172.55 -65.15 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.456 ' O ' ' HB2' ' A' ' 789' ' ' GLN . 0.0 OUTLIER -159.13 89.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.094 175.086 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.53 -21.54 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.747 -173.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 30.5 tp -71.84 -66.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.056 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -92.56 27.67 2.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -176.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' A' ' 785' ' ' VAL . 0.2 OUTLIER -80.04 74.43 6.82 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 171.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -88.75 169.04 11.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.398 -175.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.0 157.16 30.56 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.065 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 5.7 m -61.85 131.51 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.187 0.518 . . . . 0.0 111.074 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.44 -159.02 0.54 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -77.9 163.36 26.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.048 0.451 . . . . 0.0 110.985 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 1.5 m -145.21 89.48 6.4 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.609 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.16 -66.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.491 2.127 . . . . 0.0 111.968 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -177.8 -46.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.459 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 79.04 -76.14 1.96 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.883 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -149.22 -26.63 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.814 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.96 83.54 1.85 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.281 0.563 . . . . 0.0 110.765 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.442 ' H ' ' HG2' ' A' ' 801' ' ' GLU . 0.0 OUTLIER -54.08 -44.05 70.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.895 177.705 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . 0.671 ' HA ' HD21 ' A' ' 805' ' ' LEU . 12.8 t30 -53.86 -39.02 65.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.746 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.2 84.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.729 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . 0.431 HE21 ' HB3' ' A' ' 804' ' ' GLN . 0.2 OUTLIER -64.27 -46.62 82.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.374 178.111 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.671 HD21 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -65.94 -31.15 71.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.241 179.676 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.79 -50.71 67.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.428 175.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.22 68.97 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.375 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 51.0 m -67.4 -18.01 64.95 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 85.76 -14.07 53.65 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.931 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.97 25.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.966 0.412 . . . . 0.0 111.406 -176.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -70.34 -32.51 70.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.174 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.93 95.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.171 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . 0.459 ' HA ' HD21 ' A' ' 813' ' ' LEU . 0.8 OUTLIER -65.75 -41.89 91.59 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.281 176.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.455 ' CZ ' HD21 ' A' ' 889' ' ' LEU . 25.9 t80 -56.53 -52.91 62.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.3 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . 0.619 HG13 HD23 ' A' ' 890' ' ' LEU . 34.8 m -79.16 -2.29 5.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.757 0.313 . . . . 0.0 111.601 -177.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -95.02 -64.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.274 -177.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 817' ' ' THR . . . . . 0.521 HG21 ' N ' ' A' ' 818' ' ' VAL . 1.0 OUTLIER -88.79 -29.68 19.58 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -171.482 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.629 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 49.7 t -60.06 -54.94 50.36 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.629 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 45.2 Cg_exo -57.94 -40.49 77.53 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.986 1.79 . . . . 0.0 112.489 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -73.31 -43.65 60.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.23 -176.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -32.13 72.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.747 0.308 . . . . 0.0 110.471 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -39.77 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 174.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.474 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.0 OUTLIER -68.34 -35.36 77.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.065 175.849 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -60.8 -46.47 90.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.966 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.486 ' O ' ' HB1' ' A' ' 829' ' ' ALA . 0.8 OUTLIER -54.37 -44.56 72.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.265 175.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.474 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 11.9 m-85 -57.6 -45.33 85.44 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.365 0.602 . . . . 0.0 110.25 175.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 8.0 m -65.28 -45.53 84.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.967 -176.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.407 ' HG2' ' HB2' ' A' ' 836' ' ' ALA . 0.7 OUTLIER -75.23 -32.25 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.253 -176.482 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' A' ' 825' ' ' LEU . . . -65.44 -38.92 91.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 110.648 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.12 -23.08 67.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.797 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.6 2.0 27.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.325 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.3 m 59.5 38.27 22.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.324 0.583 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -85.72 71.31 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.604 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 65.6 m-85 -65.06 -24.11 67.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.039 -175.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.45 94.78 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.198 0.523 . . . . 0.0 109.675 173.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . 0.407 ' HB2' ' HG2' ' A' ' 828' ' ' GLU . . . -74.26 -33.33 63.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.426 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.604 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 1.0 OUTLIER -61.3 -38.83 88.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.411 175.451 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.45 96.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.058 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -62.36 -47.47 84.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.873 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -35.54 78.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.666 0.27 . . . . 0.0 111.217 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.69 96.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.665 0.269 . . . . 0.0 110.483 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.28 -43.93 84.98 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 843' ' ' ARG . 0.0 OUTLIER -54.42 -51.22 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.921 177.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 844' ' ' LEU . 1.3 mt -72.46 -41.58 65.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.035 -176.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -60.78 -40.47 92.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.26 -48.46 58.49 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.86 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 16.8 m -68.34 -38.77 79.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 CA-C-N 117.146 0.473 . . . . 0.0 111.502 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -64.76 -43.03 94.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.911 -0.404 . . . . 0.0 109.911 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.71 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.102 0.477 . . . . 0.0 110.191 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -41.59 99.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.776 177.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 4.9 mt -80.05 -10.15 59.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.801 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 77.13 23.59 0.91 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.029 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.42 84.62 6.63 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.697 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.75 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 18.8 t -55.77 -58.56 15.19 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.818 -174.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.75 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 35.9 Cg_exo -60.19 -39.81 65.38 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.116 1.877 . . . . 0.0 112.03 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . 0.467 ' HA2' HD13 ' A' ' 859' ' ' LEU . . . -64.79 -45.04 93.86 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.148 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' A' ' 854' ' ' VAL . 0.0 OUTLIER -62.69 -35.62 80.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.852 0.358 . . . . 0.0 110.075 177.828 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -37.08 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.554 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.467 HD13 ' HA2' ' A' ' 856' ' ' GLY . 43.7 mt -62.73 -45.91 90.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.104 176.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 20.4 m -64.53 -36.32 83.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.87 -51.47 69.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.194 0.521 . . . . 0.0 110.791 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 862' ' ' THR . . . . . 0.527 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.3 m -68.99 -28.77 66.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.805 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.432 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -62.06 -49.14 77.17 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 173.197 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -43.98 63.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.438 174.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . 0.68 ' O ' ' HG2' ' A' ' 869' ' ' GLU . 20.3 t60 -62.13 -48.18 81.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.034 177.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.02 -28.11 69.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.772 0.32 . . . . 0.0 111.122 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.682 ' HA ' HD12 ' A' ' 875' ' ' ILE . 38.7 mt -76.2 -35.88 29.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -34.28 77.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.314 176.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.68 ' HG2' ' O ' ' A' ' 865' ' ' HIS . 30.9 mm-40 -83.23 -8.29 59.49 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.812 0.339 . . . . 0.0 110.488 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt 61.59 40.48 13.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -96.48 81.32 3.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.966 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.507 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.2 t -49.55 -52.59 48.96 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.616 -177.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 10.9 Cg_endo -54.76 -42.96 63.7 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.348 2.032 . . . . 0.0 112.592 178.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.63 90.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.869 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 867' ' ' ILE . 56.5 mt -56.99 -49.96 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.25 -45.95 79.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.062 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.47 -40.89 92.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.845 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.598 ' HA ' ' HB2' ' A' ' 881' ' ' ASP . 1.5 m-85 -75.68 -32.03 59.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.812 -176.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 875' ' ' ILE . 44.5 mt -61.21 -43.04 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 172.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 51.5 m -67.02 -28.67 68.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.682 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . 0.598 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -69.45 -36.89 77.04 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.278 0.561 . . . . 0.0 110.363 176.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 34.5 mt -69.47 -32.9 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.286 0.565 . . . . 0.0 109.789 173.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . 0.585 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 10.4 t0 -72.15 -42.77 65.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.35 -178.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.0 p -65.4 -38.28 89.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.102 178.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -49.34 -57.74 6.34 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.961 0.886 . . . . 0.0 110.359 172.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.549 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.4 p -68.56 -30.45 47.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.355 -1.293 . . . . 0.0 111.393 -176.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 7.4 mmtm -56.21 -48.45 76.41 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.561 0.219 . . . . 0.0 110.966 174.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -25.65 48.04 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -178.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . 0.455 HD21 ' CZ ' ' A' ' 814' ' ' PHE . 0.2 OUTLIER -69.28 -46.28 67.61 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.504 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.619 HD23 HG13 ' A' ' 815' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.499 176.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.493 0.187 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -43.91 24.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 111.553 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -45.34 47.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.502 . . . . 0.0 109.888 178.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -116.07 93.57 4.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.408 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.526 ' H ' HG21 ' A' ' 779' ' ' VAL . 0.2 OUTLIER -74.04 76.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.598 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.21 -40.94 98.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.549 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -80.3 72.37 7.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.471 175.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.542 ' HG ' HG12 ' A' ' 783' ' ' ILE . 0.4 OUTLIER -63.62 -29.57 70.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.653 0.74 . . . . 0.0 109.493 175.332 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.542 HG12 ' HG ' ' A' ' 782' ' ' LEU . 27.7 mm -92.74 46.7 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.876 175.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.598 ' HG3' HG21 ' A' ' 785' ' ' VAL . 0.4 OUTLIER -89.59 5.75 44.25 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 171.833 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.598 HG21 ' HG3' ' A' ' 784' ' ' GLU . 0.0 OUTLIER -150.98 -42.23 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.841 -174.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . 0.428 ' HB3' ' H ' ' A' ' 787' ' ' LEU . 0.0 OUTLIER 66.14 -95.63 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.959 -179.436 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . 0.428 ' H ' ' HB3' ' A' ' 786' ' ' GLN . 0.5 OUTLIER -95.07 56.01 1.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.991 0.425 . . . . 0.0 110.735 -177.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . 0.508 ' HB1' ' HB ' ' A' ' 785' ' ' VAL . . . -145.44 -160.19 1.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.766 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . 0.42 HE21 HG12 ' A' ' 785' ' ' VAL . 52.3 mm-40 73.62 5.87 4.95 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.695 0.798 . . . . 0.0 112.158 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.61 ' HG3' ' H ' ' A' ' 791' ' ' GLU . 5.8 pt-20 -150.45 -73.99 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.194 -0.202 . . . . 0.0 111.473 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . 0.61 ' H ' ' HG3' ' A' ' 790' ' ' GLU . 23.5 mm-40 -70.48 117.5 12.1 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.891 0.377 . . . . 0.0 110.375 -178.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 1.2 p -173.89 -8.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.354 -174.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 56.2 m -152.63 116.77 4.9 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 120.769 0.319 . . . . 0.0 111.099 -175.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -96.2 161.42 13.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.093 0.473 . . . . 0.0 110.95 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.63 82.24 6.22 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.116 177.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.14 5.17 5.95 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.501 2.8 . . . . 0.0 113.395 -173.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 1.2 mt 69.12 -81.41 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.755 0.659 . . . . 0.0 110.675 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 65.02 52.53 40.79 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.364 -0.446 . . . . 0.0 112.626 176.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 96.88 -16.6 60.69 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.817 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.64 31.33 2.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.18 0.514 . . . . 0.0 110.232 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -63.94 -33.93 76.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.143 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . 0.602 ' HB3' ' HG ' ' A' ' 889' ' ' LEU . 2.7 p-10 -65.02 -33.48 76.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.386 177.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . 0.499 ' O ' ' HB1' ' A' ' 807' ' ' ALA . . . -64.25 -48.76 74.53 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.887 177.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.54 -44.58 95.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.525 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -49.99 75.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.225 -177.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 0.3 OUTLIER -80.37 -15.91 55.74 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.126 -177.298 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 803' ' ' ALA . . . -85.88 -20.14 29.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.61 0.243 . . . . 0.0 111.4 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 2.1 p -88.8 -1.11 57.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.995 0.426 . . . . 0.0 110.52 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 80.97 31.05 36.35 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.265 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -107.45 5.68 27.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 0.0 110.681 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.402 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.5 t80 -66.94 -35.29 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.262 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.92 -31.82 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.177 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.62 -36.16 22.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.858 0.361 . . . . 0.0 110.101 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.485 ' O ' ' HD3' ' A' ' 819' ' ' PRO . 49.5 t80 -53.61 -48.59 69.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.561 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.7 m -99.43 24.76 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.214 0.531 . . . . 0.0 111.762 -176.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -130.03 -65.73 0.81 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.211 0.529 . . . . 0.0 110.841 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.9 m -83.07 -34.2 26.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.057 -174.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.701 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 88.8 t -65.31 -57.13 15.91 Favored Pre-proline 0 CA--C 1.534 0.346 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -173.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.701 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 50.4 Cg_exo -55.24 -38.82 93.42 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.214 1.943 . . . . 0.0 112.989 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -77.84 -36.89 49.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.531 -176.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.99 -31.48 72.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.131 0.491 . . . . 0.0 109.7 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 53.0 t -66.59 -42.0 89.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.939 172.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.533 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 18.0 mtmm -62.18 -37.86 86.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.43 176.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.661 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.3 mtp85 -60.42 -42.99 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.08 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.651 HD22 ' HB ' ' A' ' 840' ' ' THR . 8.6 mt -54.47 -44.58 72.71 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 110.28 174.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.533 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 19.7 m-85 -57.68 -42.88 84.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.343 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 3.8 m -64.32 -45.72 86.67 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.261 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.661 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 20.1 mm-40 -67.06 -38.86 86.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.523 -178.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.0 93.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.26 96.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.019 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.9 4.09 35.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.546 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.67 25.0 14.99 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.135 0.493 . . . . 0.0 111.246 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -88.74 70.13 8.73 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.614 ' HA ' ' HB3' ' A' ' 837' ' ' LEU . 16.1 m-85 -63.03 -23.12 67.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.146 -173.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.7 -46.11 91.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.333 0.587 . . . . 0.0 109.724 174.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -79.82 -32.93 40.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.651 -177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.817 HD23 HG22 ' A' ' 875' ' ' ILE . 11.4 tp -58.81 -46.97 86.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.196 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . 0.596 ' HA ' HD11 ' A' ' 867' ' ' ILE . . . -63.87 -42.41 97.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.696 177.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -61.47 -41.61 97.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.469 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.651 ' HB ' HD22 ' A' ' 825' ' ' LEU . 5.1 m -68.5 -37.59 80.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.696 0.284 . . . . 0.0 110.937 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.88 82.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.932 0.396 . . . . 0.0 110.4 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . 0.521 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 2.9 m170 -59.04 -46.44 88.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.849 175.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -61.31 -44.79 96.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.019 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' ' 844' ' ' LEU . 0.3 OUTLIER -64.27 -44.33 92.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.518 -176.83 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.521 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -63.25 -35.95 82.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.579 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.36 -50.83 41.63 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.579 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.622 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 7.3 m -63.86 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.766 0.283 . . . . 0.0 111.127 -177.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.56 ' HA ' HD13 ' A' ' 851' ' ' LEU . 4.9 m-30 -65.53 -37.58 87.14 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.31 -34.92 77.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.822 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 850' ' ' MET . . . . . 0.502 ' HG3' ' HA ' ' A' ' 847' ' ' VAL . 0.9 OUTLIER -61.1 -52.05 66.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.577 177.145 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -77.92 -5.36 50.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.973 -178.391 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.18 33.32 2.04 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.723 0.773 . . . . 0.0 110.233 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 4.3 mt -79.13 74.64 5.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.79 -1.096 . . . . 0.0 109.266 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.815 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 39.3 t -50.59 -60.57 5.15 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.815 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 33.3 Cg_exo -57.94 -39.82 83.13 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.821 1.68 . . . . 0.0 112.262 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.42 -46.53 69.43 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.574 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -62.21 -37.52 85.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -61.28 -40.93 95.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.79 -42.66 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.021 0.438 . . . . 0.0 110.303 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 21.6 m -66.9 -28.33 68.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.632 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.31 -48.52 67.35 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.261 177.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 862' ' ' THR . . . . . 0.533 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -65.47 -33.69 76.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.427 177.599 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 878' ' ' TYR . 0.5 OUTLIER -62.15 -43.18 99.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 175.213 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -44.67 79.5 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.225 0.536 . . . . 0.0 110.496 176.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . 0.458 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 59.1 t60 -68.18 -29.74 68.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.693 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . 0.546 HD23 ' HA3' ' A' ' 874' ' ' GLY . 4.4 mt -69.74 -35.52 75.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.8 0.333 . . . . 0.0 110.379 177.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.596 HD11 ' HA ' ' A' ' 838' ' ' ALA . 24.8 mt -69.34 -41.37 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.393 176.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.486 ' HE ' ' HB2' ' A' ' 868' ' ' ARG . 0.0 OUTLIER -64.89 -32.66 74.47 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.059 0.457 . . . . 0.0 110.3 177.799 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.3 OUTLIER -81.23 -13.8 58.15 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 176.05 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . 0.445 ' HD2' ' O ' ' A' ' 867' ' ' ILE . 0.1 OUTLIER 58.67 38.16 25.09 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.296 -177.608 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.86 89.24 7.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.009 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.517 ' H ' HG21 ' A' ' 872' ' ' VAL . 2.1 t -53.19 -56.23 26.15 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.899 -172.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 14.7 Cg_endo -56.65 -36.72 98.39 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.396 2.064 . . . . 0.0 112.428 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . 0.546 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -71.88 -40.46 57.61 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.7 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.817 HG22 HD23 ' A' ' 837' ' ' LEU . 55.2 mt -58.75 -56.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.482 0.182 . . . . 0.0 110.515 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 7.9 pt-20 -62.35 -39.66 93.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.942 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -42.62 90.88 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.825 0.345 . . . . 0.0 110.646 178.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.561 ' HB3' HD13 ' A' ' 863' ' ' LEU . 3.7 m-85 -69.01 -32.92 72.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 875' ' ' ILE . 31.1 mt -63.5 -42.17 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.221 176.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -34.7 78.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.422 175.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -34.83 77.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.027 0.441 . . . . 0.0 110.606 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . 0.413 HD13 HD11 ' A' ' 863' ' ' LEU . 57.5 mt -68.63 -33.52 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.289 0.566 . . . . 0.0 110.002 174.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.5 -41.25 66.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.606 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 884' ' ' SER . . . . . 0.44 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 6.4 p -71.14 -30.37 66.4 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.111 177.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 62.3 t80 -57.78 -57.32 13.27 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.486 1.136 . . . . 0.0 109.789 174.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.545 HG23 HG13 ' A' ' 818' ' ' VAL . 1.0 OUTLIER -63.68 -31.8 54.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 113.3 -1.773 . . . . 0.0 110.45 -178.684 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 4.6 mttp -63.04 -43.81 97.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 176.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.24 -23.14 38.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.013 -176.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . 0.602 ' HG ' ' HB3' ' A' ' 802' ' ' ASN . 1.6 mp -77.6 -28.03 51.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.552 177.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.811 175.887 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 775' ' ' MET . . . . . 0.43 ' HG3' ' H ' ' A' ' 776' ' ' GLN . 6.4 tpp . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . 0.43 ' H ' ' HG3' ' A' ' 775' ' ' MET . 0.0 OUTLIER 67.68 110.82 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.191 0.596 . . . . 0.0 111.426 179.553 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 67.78 -73.06 0.09 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.735 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -89.31 76.94 7.51 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.212 0.53 . . . . 0.0 109.753 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.519 ' H ' HG21 ' A' ' 779' ' ' VAL . 0.0 OUTLIER -71.63 -25.58 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.976 179.667 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . 0.409 ' HB2' ' H ' ' A' ' 781' ' ' GLN . 0.0 OUTLIER -120.34 -154.19 0.57 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.068 179.51 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . 0.409 ' H ' ' HB2' ' A' ' 780' ' ' LEU . 19.8 mm-40 -83.64 -172.25 4.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.873 177.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.626 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 0.4 OUTLIER -58.14 -58.89 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 110.032 176.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.626 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 5.7 mm -135.39 -82.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.32 176.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.423 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 1.4 mm-40 -143.95 -75.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.187 178.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.52 HG13 ' HB2' ' A' ' 788' ' ' ALA . 0.0 OUTLIER -143.78 104.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.47 -178.378 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -53.39 -54.42 37.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.318 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 787' ' ' LEU . 4.5 tp -146.76 64.22 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.171 0.51 . . . . 0.0 110.447 -177.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . 0.52 ' HB2' HG13 ' A' ' 785' ' ' VAL . . . -159.86 63.58 0.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.255 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.61 81.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.503 -176.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.4 53.31 0.79 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -70.84 85.03 0.67 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.25 -177.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 2.4 p -141.25 112.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.691 175.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 7.4 t -105.57 120.79 42.54 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.775 0.798 . . . . 0.0 110.55 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . 0.733 ' HG3' ' HD3' ' A' ' 796' ' ' PRO . 5.9 tp10 -97.1 143.99 27.4 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.429 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.47 77.0 2.32 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.954 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . 0.733 ' HD3' ' HG3' ' A' ' 794' ' ' GLU . 98.0 Cg_endo -88.57 161.43 6.53 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.886 2.391 . . . . 0.0 112.262 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 3.8 mt -129.44 109.32 10.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.931 0.396 . . . . 0.0 110.596 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -121.27 -20.58 3.28 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.093 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 171.33 160.72 20.55 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.646 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.3 t0 53.48 75.85 0.24 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.172 0.51 . . . . 0.0 111.569 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -63.2 -29.2 70.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.378 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . 0.937 ' HA ' HD22 ' A' ' 805' ' ' LEU . 41.1 t30 -62.98 -42.47 99.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.51 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . 0.432 ' O ' ' HB1' ' A' ' 807' ' ' ALA . . . -54.91 -51.47 65.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . 0.541 ' HG3' ' N ' ' A' ' 805' ' ' LEU . 0.0 OUTLIER -64.47 -42.87 95.66 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.116 -177.534 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.937 HD22 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -73.23 -38.65 65.96 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.788 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.548 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 0.0 OUTLIER -82.78 -14.48 54.36 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.789 -178.828 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 803' ' ' ALA . . . -80.95 -37.7 28.99 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 174.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -26.07 63.89 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.037 0.446 . . . . 0.0 110.644 177.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 105.92 7.96 35.08 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.795 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -88.1 8.57 26.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.298 0.571 . . . . 0.0 110.937 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.511 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 27.1 t80 -63.35 -28.95 70.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.168 177.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -59.93 -44.45 94.33 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.638 177.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.98 -35.54 78.53 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.105 0.478 . . . . 0.0 110.33 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.464 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 4.1 t80 -60.91 -37.51 82.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.972 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . 0.574 HG11 HD23 ' A' ' 890' ' ' LEU . 32.9 m -100.51 15.66 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.875 0.369 . . . . 0.0 111.084 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . 0.53 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 0.4 OUTLIER -106.22 -79.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.859 0.361 . . . . 0.0 111.197 -178.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.0 -18.62 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.916 -174.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.649 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 84.9 t -63.0 -53.98 50.51 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -175.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.649 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 48.3 Cg_exo -57.13 -39.53 90.05 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.94 1.76 . . . . 0.0 112.076 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 824' ' ' ARG . 4.2 t70 -69.86 -40.67 75.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.862 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -38.26 90.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.378 . . . . 0.0 110.595 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . 0.505 ' HA ' HD13 ' A' ' 825' ' ' LEU . 87.9 t -62.23 -43.49 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.079 0.466 . . . . 0.0 109.992 174.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.493 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.5 OUTLIER -65.56 -35.01 79.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.701 176.58 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.5 mmp_? -56.9 -47.66 80.02 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.567 ' O ' ' HB1' ' A' ' 829' ' ' ALA . 6.2 mt -53.43 -49.7 66.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.481 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.493 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 19.8 m-85 -55.66 -47.53 76.55 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.394 0.616 . . . . 0.0 110.839 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.0 m -67.16 -42.82 83.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.958 -172.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 8.8 mm-40 -79.2 -29.66 42.97 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.017 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' A' ' 825' ' ' LEU . . . -64.54 -33.28 75.54 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 120.841 0.353 . . . . 0.0 110.396 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.84 87.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.168 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.38 8.86 31.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.65 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.81 36.26 24.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.234 177.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -86.16 71.92 10.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.567 0.699 . . . . 0.0 109.496 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.463 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 77.9 m-85 -63.61 -26.08 68.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.729 -177.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.79 99.94 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.296 0.569 . . . . 0.0 110.037 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -74.23 -35.3 63.85 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.723 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.463 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.6 OUTLIER -58.61 -42.98 89.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.267 175.67 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.4 94.94 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.657 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -59.71 -44.32 93.75 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.648 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.818 ' HA ' ' HD3' ' A' ' 843' ' ' ARG . 3.7 m -66.51 -41.58 88.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.385 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.8 -31.25 72.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.027 0.441 . . . . 0.0 110.467 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . 0.669 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 36.6 m170 -69.55 -40.78 76.63 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.317 176.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.818 ' HD3' ' HA ' ' A' ' 840' ' ' THR . 8.8 mtp180 -57.86 -51.4 69.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.219 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.432 HD21 ' HA ' ' A' ' 844' ' ' LEU . 5.8 mt -62.16 -47.91 82.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.602 -175.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.669 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.1 OUTLIER -61.58 -34.5 75.72 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.438 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -70.77 -49.05 31.26 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.619 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.541 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 20.1 m -66.66 -33.65 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.809 0.305 . . . . 0.0 111.069 -178.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.417 ' CD2' ' HA3' ' A' ' 856' ' ' GLY . 6.3 m-85 -68.17 -43.64 77.74 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.36 -34.54 76.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.017 0.437 . . . . 0.0 110.411 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 9.7 tpt -64.65 -44.4 90.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.795 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 17.9 mt -74.59 -13.45 60.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.596 177.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.0 OUTLIER 80.89 28.52 0.2 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.56 176.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.78 82.52 7.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.634 177.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.425 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 1.2 t -54.03 -57.2 19.05 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.396 -176.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 19.1 Cg_endo -59.05 -34.98 99.13 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.229 1.952 . . . . 0.0 112.01 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . 0.417 ' HA3' ' CD2' ' A' ' 848' ' ' PHE . . . -66.36 -44.05 91.36 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.846 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -40.22 96.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . 0.446 ' HA ' ' OE1' ' A' ' 858' ' ' GLN . 1.1 tp-100 -56.22 -44.53 79.62 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.857 177.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 3.8 mt -61.43 -41.41 97.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.682 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 55.5 m -67.48 -31.31 71.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.26 -46.48 76.92 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.887 0.375 . . . . 0.0 110.126 177.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -36.51 83.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.466 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.637 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -59.84 -46.78 88.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.964 175.534 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.33 -43.97 79.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 110.234 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . 0.423 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 4.2 t-160 -59.55 -40.91 88.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.557 176.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 16.8 mt -71.07 -37.83 72.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.96 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 863' ' ' LEU . 10.5 mm -64.57 -45.24 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.281 0.562 . . . . 0.0 109.848 175.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.538 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.02 -32.39 74.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.132 -177.678 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.538 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 31.5 mm-40 -95.64 -2.68 47.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.745 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp 62.87 40.46 9.6 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.355 175.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -94.02 88.5 5.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.874 0.369 . . . . 0.0 110.207 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.507 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 14.6 t -50.56 -52.48 55.35 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -175.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 9.7 Cg_endo -54.24 -45.51 40.47 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.257 1.972 . . . . 0.0 112.437 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -68.23 -38.8 88.1 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.08 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 867' ' ' ILE . 59.8 mt -56.37 -59.55 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 122.256 0.222 . . . . 0.0 110.813 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.97 -36.39 83.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.904 -177.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -61.51 -48.93 78.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.819 0.342 . . . . 0.0 110.708 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.637 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.6 OUTLIER -73.52 -31.75 63.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.484 -176.802 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 875' ' ' ILE . 93.4 mt -59.77 -44.87 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.1 m -67.41 -28.86 68.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.697 177.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . 0.501 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -69.92 -35.79 74.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.044 0.45 . . . . 0.0 110.569 177.768 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 86.3 mt -70.67 -33.12 51.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.236 0.541 . . . . 0.0 109.82 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.14 -41.31 74.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.568 0.699 . . . . 0.0 109.31 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.3 p -69.96 -30.23 67.54 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.112 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -57.17 11.0 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.983 177.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.662 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 4.9 p -62.87 -33.04 58.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.505 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -56.83 -49.23 76.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.007 0.432 . . . . 0.0 111.148 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.99 -15.99 45.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.559 -176.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . 0.435 ' HB3' ' HE2' ' A' ' 814' ' ' PHE . 0.1 OUTLIER -81.7 -39.32 24.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.903 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 30.3 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.143 -179.045 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.971 0.415 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -122.76 106.42 10.91 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.66 -44.7 0.6 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.714 0.806 . . . . 0.0 111.064 -176.468 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -83.42 75.04 10.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.95 0.405 . . . . 0.0 110.191 177.022 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 2.9 t -70.81 -74.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.241 177.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 2.3 mt 58.64 -98.45 0.08 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.45 177.32 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -142.42 -91.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.157 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.759 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 0.7 OUTLIER -179.85 -54.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.785 178.021 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.759 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 0.5 OUTLIER -136.46 -111.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 172.781 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.488 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 1.2 pt-20 -156.46 -48.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.115 0.483 . . . . 0.0 109.769 175.798 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.595 HG22 ' HA ' ' A' ' 788' ' ' ALA . 2.4 m -105.72 25.93 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.209 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . 0.442 ' HB3' ' H ' ' A' ' 787' ' ' LEU . 2.1 mm-40 53.1 -106.95 0.33 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.974 -177.345 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . 0.477 HD21 ' HG3' ' A' ' 790' ' ' GLU . 1.0 OUTLIER -64.21 -57.38 9.67 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.747 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . 0.595 ' HA ' HG22 ' A' ' 785' ' ' VAL . . . 173.65 27.52 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.907 -178.738 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . 0.518 ' HB2' HG13 ' A' ' 785' ' ' VAL . 0.0 OUTLIER 54.5 65.79 1.41 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.367 0.603 . . . . 0.0 109.477 -171.098 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.477 ' HG3' HD21 ' A' ' 787' ' ' LEU . 18.3 mm-40 -80.86 177.39 9.07 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.231 -169.433 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.74 146.11 37.31 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.239 -178.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 3.6 m -88.69 14.06 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.976 0.417 . . . . 0.0 110.602 179.241 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 63.18 49.49 3.32 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.955 -177.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -140.66 -51.21 0.46 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.552 178.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 50.9 85.71 0.18 Allowed Pre-proline 0 N--CA 1.463 0.211 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.364 -178.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.16 106.8 0.2 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.04 2.493 . . . . 0.0 111.929 -179.26 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 1.6 mt 62.77 -96.73 0.06 Allowed 'General case' 0 CA--C 1.531 0.248 0 O-C-N 123.897 0.748 . . . . 0.0 110.636 -177.529 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 105.84 42.23 1.72 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.009 179.058 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -127.94 48.15 0.98 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.036 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.98 59.07 3.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.995 0.426 . . . . 0.0 110.821 179.274 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -54.95 -47.55 74.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.898 -174.478 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . 0.796 ' HA ' HD21 ' A' ' 805' ' ' LEU . 0.0 OUTLIER -66.45 -33.85 76.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.66 0.267 . . . . 0.0 110.903 -177.651 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.82 67.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.802 0.334 . . . . 0.0 110.542 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -63.33 -48.23 78.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.372 176.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -68.53 -23.79 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.304 0.573 . . . . 0.0 110.587 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.608 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 8.4 t-160 -73.78 -40.63 63.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.281 174.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.46 78.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.276 -178.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -19.74 61.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.134 0.492 . . . . 0.0 110.447 176.071 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 91.99 7.56 64.13 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.381 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . 0.474 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.4 OUTLIER -91.24 -3.43 56.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.791 0.329 . . . . 0.0 111.277 -175.519 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.608 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 1.1 t80 -63.01 -30.58 71.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.42 . . . . 0.0 110.22 176.199 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -66.57 -25.89 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.728 177.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.53 -38.26 24.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.736 176.575 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -57.87 -49.28 77.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.974 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 29.1 m -80.38 -0.06 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 0.0 111.424 -178.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . 0.523 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 11.0 t0 -96.24 -64.27 1.07 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.411 -176.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.96 -32.01 15.41 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -173.155 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.695 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 90.7 t -59.93 -54.86 51.32 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.719 -173.777 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.695 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.5 Cg_exo -58.75 -32.01 96.17 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.129 1.886 . . . . 0.0 112.626 176.382 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -74.55 -44.64 50.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 110.524 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . 0.47 ' HB3' HD13 ' A' ' 844' ' ' LEU . 3.1 m-20 -64.76 -35.32 80.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.766 177.182 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.04 -43.32 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.093 174.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -37.8 86.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.85 175.529 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.679 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -60.36 -48.14 83.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.968 174.401 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.574 HD13 HD12 ' A' ' 844' ' ' LEU . 13.8 mt -53.4 -45.46 69.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 177.546 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -56.54 -42.81 79.13 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.468 175.648 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 25.4 m -71.65 -46.56 58.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.551 -175.064 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.679 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 4.3 mm-40 -68.5 -31.83 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.709 0.29 . . . . 0.0 110.358 -179.153 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.6 85.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.246 175.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.3 69.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 179.075 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 831' ' ' THR . . . . . 0.456 ' C ' ' HG ' ' A' ' 832' ' ' SER . 2.2 m -85.33 -9.11 58.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.046 179.079 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 832' ' ' SER . . . . . 0.456 ' HG ' ' C ' ' A' ' 831' ' ' THR . 0.8 OUTLIER 62.15 32.17 17.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.615 0.722 . . . . 0.0 110.141 -178.63 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.565 ' HB3' ' HB1' ' A' ' 836' ' ' ALA . 1.0 OUTLIER -95.47 77.89 3.38 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.388 178.133 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.437 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 46.6 m-85 -58.84 -29.8 67.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.839 -178.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.28 93.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.109 0.48 . . . . 0.0 109.827 175.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . 0.565 ' HB1' ' HB3' ' A' ' 833' ' ' ASP . . . -75.27 -35.38 61.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.72 179.442 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.637 HD22 HG22 ' A' ' 875' ' ' ILE . 1.5 tp -57.86 -49.08 77.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.301 174.371 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.69 86.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.825 178.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -63.94 -45.81 87.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.892 177.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.531 HG23 ' HG ' ' A' ' 825' ' ' LEU . 2.4 m -69.78 -33.46 72.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.78 0.324 . . . . 0.0 110.964 179.409 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.64 97.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.039 0.447 . . . . 0.0 110.047 174.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -63.65 -32.99 74.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.158 175.39 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -49.97 69.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.192 177.492 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.574 HD12 HD13 ' A' ' 825' ' ' LEU . 0.1 OUTLIER -66.91 -40.99 87.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.314 -178.814 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -57.31 -44.06 83.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.097 175.119 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.33 69.23 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.507 -0.77 . . . . 0.0 113.298 -178.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.463 HG21 ' O ' ' A' ' 844' ' ' LEU . 24.3 m -70.16 -39.1 76.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 117.313 0.556 . . . . 0.0 111.15 -178.015 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -69.28 -39.37 78.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.98 -31.66 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.598 175.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -66.27 -45.64 79.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.363 176.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.03 -9.39 58.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 178.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 77.43 24.49 0.8 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.94 176.808 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 6.6 mt -83.49 85.65 7.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.548 176.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.478 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 17.2 t -58.97 -54.99 51.02 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.653 -175.504 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 12.0 Cg_endo -55.33 -38.71 93.6 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.454 2.103 . . . . 0.0 112.275 178.249 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.49 -47.49 69.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.604 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . 0.516 ' O ' ' HG2' ' A' ' 861' ' ' GLU . 1.7 tttp -61.86 -38.88 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 177.06 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . 0.448 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 37.6 mt-30 -62.36 -37.63 86.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.177 178.41 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.481 HD21 ' CE2' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -60.87 -42.24 97.5 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.65 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 14.6 m -68.0 -29.83 68.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.157 177.423 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 857' ' ' LYS . 22.6 mm-40 -62.15 -51.6 67.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 110.18 175.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 862' ' ' THR . . . . . 0.633 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.5 m -64.56 -34.08 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.77 178.527 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.48 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -61.74 -48.65 79.77 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.158 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.03 -42.02 79.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.072 0.463 . . . . 0.0 110.14 175.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . 0.713 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 2.7 t-160 -61.98 -39.51 92.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.929 177.381 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . 0.522 HD23 ' HA3' ' A' ' 874' ' ' GLY . 20.3 mt -68.61 -41.54 79.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 179.113 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.606 ' HA ' HD12 ' A' ' 875' ' ' ILE . 22.8 mt -67.65 -42.2 86.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.82 177.844 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.713 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -64.48 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.233 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 6.7 mm-40 -89.56 -4.29 57.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 110.308 179.373 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp 60.14 40.07 18.74 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.341 179.32 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -93.53 83.09 4.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.863 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.478 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 0.2 OUTLIER -48.53 -54.85 22.7 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -175.723 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 12.3 Cg_endo -55.95 -41.61 75.3 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.399 2.066 . . . . 0.0 112.602 -179.225 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . 0.522 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -67.44 -37.14 89.9 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.98 178.474 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.637 HG22 HD22 ' A' ' 837' ' ' LEU . 69.7 mt -59.13 -56.81 14.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.361 0.124 . . . . 0.0 110.731 179.246 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 5.1 pt-20 -66.63 -32.15 73.29 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.916 -177.642 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . 0.457 ' HZ3' ' CG ' ' A' ' 881' ' ' ASP . 4.6 tptp -58.85 -48.87 79.84 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.031 0.443 . . . . 0.0 109.99 175.54 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.633 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.2 OUTLIER -67.31 -31.88 72.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.965 179.577 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.558 HG12 ' O ' ' A' ' 875' ' ' ILE . 42.5 mm -54.78 -49.13 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.585 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -32.89 74.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.268 178.317 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . 0.457 ' CG ' ' HZ3' ' A' ' 877' ' ' LYS . 75.3 m-20 -72.06 -36.86 69.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.065 0.459 . . . . 0.0 110.938 -179.304 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . 0.495 HD12 HG22 ' A' ' 882' ' ' ILE . 10.1 mt -70.44 -32.81 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 173.755 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 8.7 t70 -71.57 -37.99 71.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.377 -177.782 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.7 p -73.29 -29.71 62.91 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.176 176.391 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.67 -56.62 12.6 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 122.193 0.997 . . . . 0.0 110.045 176.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.534 HG23 HG13 ' A' ' 818' ' ' VAL . 2.5 t -59.53 -32.75 49.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.713 177.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 11.0 tttt -60.64 -41.38 94.8 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.48 175.491 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -23.83 48.02 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.812 0.339 . . . . 0.0 111.06 -179.531 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 4.6 mt -78.88 -27.52 44.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.33 178.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 890' ' ' LEU . 51.3 mt . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.398 177.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 2.7 ttp . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 67.93 109.14 0.05 OUTLIER 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.867 0.729 . . . . 0.0 111.815 178.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 78.34 -64.67 0.26 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.204 175.605 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -107.37 66.44 0.67 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.848 -178.354 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 2.4 t -89.78 -59.97 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.305 0.574 . . . . 0.0 109.902 178.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 5.5 mt -143.36 94.55 2.63 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.695 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -95.63 160.03 14.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.879 0.371 . . . . 0.0 110.748 -177.102 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.572 ' HG ' ' N ' ' A' ' 783' ' ' ILE . 1.0 OUTLIER -84.57 -47.72 10.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.386 174.3 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.572 ' N ' ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -149.08 -129.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.424 174.296 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.47 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 0.0 OUTLIER -122.78 -64.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.975 0.417 . . . . 0.0 111.038 179.775 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 1.9 m -94.37 8.55 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.656 -172.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.74 33.56 21.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.533 177.091 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 6.3 mt 68.62 -5.9 0.91 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.244 0.618 . . . . 0.0 112.352 177.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -84.43 52.24 2.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.058 0.456 . . . . 0.0 110.827 -178.454 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -138.16 105.14 5.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.922 -179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -88.78 116.1 26.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.386 0.612 . . . . 0.0 109.733 177.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.21 77.32 1.65 Allowed 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.145 -175.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 2.0 p -74.08 96.62 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.446 0.641 . . . . 0.0 109.488 175.48 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.77 110.75 19.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.273 -179.331 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.51 -179.68 6.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.25 -179.596 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.21 105.3 57.05 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.112 178.723 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -52.93 143.2 50.1 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.9 2.4 . . . . 0.0 111.974 177.036 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.64 107.7 1.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.439 -178.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 106.33 35.18 2.95 Favored Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 -177.575 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -138.33 -66.4 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.512 -176.2 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -136.08 67.51 1.47 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.21 0.529 . . . . 0.0 110.694 -177.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -71.42 -31.67 67.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.024 -178.2 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -63.25 -51.14 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.02 -177.168 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.78 85.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.913 0.387 . . . . 0.0 110.493 -179.118 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -65.27 -46.34 80.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.635 178.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.677 HD13 ' HA ' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -66.0 -30.24 70.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.219 0.533 . . . . 0.0 110.537 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -72.72 -44.06 62.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.64 177.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -68.78 -30.21 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.906 -176.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.6 p -76.97 -13.16 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.959 -179.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 82.38 -0.38 89.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.29 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . 0.446 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.7 OUTLIER -84.78 4.76 31.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.963 0.411 . . . . 0.0 110.906 -177.48 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.677 ' HA ' HD13 ' A' ' 805' ' ' LEU . 46.4 t80 -57.85 -31.9 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.457 176.366 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.68 91.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.104 178.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . 0.427 HD21 HG23 ' A' ' 817' ' ' THR . 8.1 mt -64.29 -34.56 78.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.641 -178.338 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.459 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 3.4 t80 -60.63 -42.7 97.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.856 -176.418 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . 0.504 ' H ' HG21 ' A' ' 815' ' ' VAL . 0.0 OUTLIER -103.2 13.68 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.035 0.445 . . . . 0.0 111.475 -177.609 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -112.16 -74.0 0.65 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.253 179.23 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 817' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 821' ' ' ASP . 1.5 t -85.55 -23.41 27.68 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -174.048 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.771 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 97.3 t -66.14 -57.93 11.98 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.715 -175.229 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.771 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 26.0 Cg_exo -63.4 -37.2 50.79 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 121.839 1.692 . . . . 0.0 111.856 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.83 -33.04 65.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -177.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . 0.668 ' HB3' HD13 ' A' ' 844' ' ' LEU . 0.4 OUTLIER -66.42 -39.21 88.83 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 175.869 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 15.7 t -60.29 -44.14 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.08 174.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -46.05 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.282 175.415 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.696 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 9.4 ttt180 -58.68 -48.18 81.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.362 177.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.557 ' HG ' HG23 ' A' ' 840' ' ' THR . 5.7 mt -54.77 -45.27 74.22 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.935 178.185 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -33.66 75.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.434 177.768 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 29.1 m -70.37 -42.4 71.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.074 178.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.696 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 1.6 mm-40 -64.41 -36.41 84.08 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.228 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.42 97.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 178.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -66.31 -17.0 64.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.249 178.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.67 6.06 25.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.69 177.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 56.02 31.84 18.8 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.945 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -87.47 72.97 9.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.68 179.322 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.644 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 44.7 m-85 -63.54 -24.8 67.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.57 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.22 97.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.253 0.549 . . . . 0.0 109.733 174.309 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.54 -33.71 60.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.861 179.234 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' ' 828' ' ' GLU . 0.7 OUTLIER -55.97 -53.26 59.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.36 175.308 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.84 99.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.081 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -60.81 -47.23 87.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.199 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.557 HG23 ' HG ' ' A' ' 825' ' ' LEU . 3.9 m -68.19 -39.22 82.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.948 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . 0.556 ' HB2' ' HG3' ' A' ' 864' ' ' GLU . . . -65.48 -31.31 72.31 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.192 0.52 . . . . 0.0 110.64 177.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -68.23 -48.35 65.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.84 174.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -47.4 84.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.273 178.001 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.707 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.1 OUTLIER -61.39 -38.15 86.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.768 -178.272 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.54 ' HD2' ' HG2' ' A' ' 861' ' ' GLU . 0.7 OUTLIER -54.09 -47.42 71.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.345 173.586 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -62.46 -42.1 99.73 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.283 -0.872 . . . . 0.0 112.865 -178.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.707 HG22 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -62.56 -50.58 79.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 CA-C-N 116.702 0.251 . . . . 0.0 110.974 -179.343 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.527 ' HD2' ' HA3' ' A' ' 856' ' ' GLY . 4.8 m-85 -65.53 -39.07 91.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.78 -176.492 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.77 87.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.615 177.102 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 850' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' A' ' 847' ' ' VAL . 0.8 OUTLIER -82.28 -15.71 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.93 0.395 . . . . 0.0 110.785 178.25 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 848' ' ' PHE . 32.3 mt -91.38 -0.74 57.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.008 176.532 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.53 15.48 4.14 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.042 174.047 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.549 HD23 HD23 ' A' ' 889' ' ' LEU . 24.4 mt -89.35 75.55 7.68 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.818 -179.835 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.51 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -55.17 -55.7 36.52 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.437 -175.791 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.51 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 31.5 Cg_exo -59.66 -36.34 92.43 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.842 1.694 . . . . 0.0 112.073 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . 0.527 ' HA3' ' HD2' ' A' ' 848' ' ' PHE . . . -66.5 -43.49 92.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.031 176.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -39.41 94.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.763 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -35.07 79.31 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.357 177.617 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.39 -42.45 99.43 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 174.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 25.6 m -67.25 -27.6 67.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.17 177.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . 0.54 ' HG2' ' HD2' ' A' ' 845' ' ' LYS . 15.1 mm-40 -66.72 -54.13 26.22 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.23 0.538 . . . . 0.0 109.644 175.55 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.3 m -62.33 -37.51 85.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.807 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -57.83 -51.46 69.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.759 177.085 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . 0.556 ' HG3' ' HB2' ' A' ' 841' ' ' ALA . 1.6 mt-10 -57.41 -41.44 80.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.814 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -63.44 -38.17 90.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.021 178.237 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 7.5 mt -73.85 -27.32 61.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.882 0.372 . . . . 0.0 110.778 179.388 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.549 ' HA ' HD12 ' A' ' 875' ' ' ILE . 70.6 mt -74.78 -41.16 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.538 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.523 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -63.95 -37.47 87.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.307 176.872 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.523 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.4 OUTLIER -81.21 1.06 33.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 176.359 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp 53.15 48.98 21.0 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.75 175.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.06 87.3 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.185 178.26 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.646 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 74.8 t -51.98 -53.62 49.7 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.564 -175.468 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.646 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.8 Cg_exo -55.58 -39.88 88.54 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.953 1.769 . . . . 0.0 112.176 179.234 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.05 93.6 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.581 -0.818 . . . . 0.0 111.482 177.019 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.579 HG22 HD22 ' A' ' 837' ' ' LEU . 52.9 mt -58.25 -54.38 33.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.625 0.25 . . . . 0.0 110.845 178.512 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -56.66 -45.35 81.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.073 -178.018 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -40.5 95.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.292 -177.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -73.48 -32.19 64.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -178.413 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 875' ' ' ILE . 89.4 mt -61.96 -46.77 95.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 0.0 110.438 176.126 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -28.95 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.211 177.303 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.32 -34.96 79.15 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.301 0.572 . . . . 0.0 110.519 174.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 53.1 mt -68.95 -32.74 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.937 172.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.6 -43.42 66.25 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.616 -178.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.3 p -66.69 -32.77 74.29 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.057 177.252 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -57.42 -58.37 8.59 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 122.408 1.099 . . . . 0.0 109.793 174.53 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -35.82 74.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 113.329 -1.759 . . . . 0.0 110.514 -177.529 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -55.06 -51.84 65.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.108 176.403 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -33.13 73.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.822 -178.067 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . 0.549 HD23 HD23 ' A' ' 853' ' ' LEU . 0.0 OUTLIER -72.3 -29.84 64.23 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -177.732 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.871 -0.585 . . . . 0.0 111.018 178.434 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 775' ' ' MET . . . . . 0.467 ' HG2' ' HA ' ' A' ' 779' ' ' VAL . 40.4 ttp . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 121.122 0.487 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . 0.437 ' O ' HG21 ' A' ' 779' ' ' VAL . 13.6 mm100 -117.36 -98.06 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -177.234 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.492 ' H ' ' HG3' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -55.64 -42.99 75.78 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -173.923 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -82.51 -23.74 34.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.338 -175.676 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.477 ' HB ' ' H ' ' A' ' 780' ' ' LEU . 1.7 t 49.37 -107.84 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.523 0.515 . . . . 0.0 110.342 -174.175 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . 0.477 ' H ' ' HB ' ' A' ' 779' ' ' VAL . 0.1 OUTLIER -141.35 -69.21 0.38 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.153 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . 0.427 ' HB3' ' H ' ' A' ' 782' ' ' LEU . 0.6 OUTLIER -162.76 -90.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.335 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.779 ' HG ' HG12 ' A' ' 783' ' ' ILE . 30.8 tp -166.78 -84.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.453 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.779 HG12 ' HG ' ' A' ' 782' ' ' LEU . 41.0 mm -105.6 -78.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.01 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.484 ' HB3' HG21 ' A' ' 785' ' ' VAL . 1.6 mm-40 -174.59 -44.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.565 176.747 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.502 HG13 ' HB2' ' A' ' 788' ' ' ALA . 0.0 OUTLIER -158.4 112.05 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-O 120.973 0.416 . . . . 0.0 110.035 -174.778 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -121.65 123.26 41.49 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.008 174.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 1.1 mt 60.39 35.16 20.56 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.527 0.517 . . . . 0.0 110.541 -177.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . 0.502 ' HB2' HG13 ' A' ' 785' ' ' VAL . . . -129.88 -37.85 1.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.554 -176.573 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.42 81.18 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.922 0.392 . . . . 0.0 110.871 -176.697 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 791' ' ' GLU . 26.9 mm-40 -135.57 176.3 8.8 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 177.547 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 790' ' ' GLU . 11.8 pt-20 167.94 161.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.377 -1.283 . . . . 0.0 108.865 -179.653 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . 0.465 HG21 ' N ' ' A' ' 793' ' ' THR . 12.4 p -163.25 150.07 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.794 0.33 . . . . 0.0 110.987 -177.505 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 793' ' ' THR . . . . . 0.465 ' N ' HG21 ' A' ' 792' ' ' VAL . 0.9 OUTLIER -156.79 149.14 23.24 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.793 176.886 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.04 165.52 19.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.132 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 16.1 m -160.33 101.31 1.38 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 120.846 0.355 . . . . 0.0 111.057 -179.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -85.65 -115.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.915 2.41 . . . . 0.0 111.51 174.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.11 82.85 0.17 Allowed 'General case' 0 C--O 1.236 0.367 0 C-N-CA 122.847 0.459 . . . . 0.0 111.901 173.596 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -116.2 -61.22 0.34 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.543 176.168 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -148.1 14.27 1.3 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 176.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . 0.857 ' HB2' ' HB1' ' A' ' 803' ' ' ALA . 0.6 OUTLIER -88.35 68.01 8.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.293 -0.954 . . . . 0.0 110.808 -175.548 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.759 ' HB3' HD22 ' A' ' 853' ' ' LEU . 3.3 mt-10 -61.22 -40.13 92.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.548 179.333 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -64.64 -44.81 89.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.469 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . 0.857 ' HB1' ' HB2' ' A' ' 800' ' ' ASP . . . -65.67 -43.08 90.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.517 178.431 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -60.31 -45.83 92.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 178.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.25 -30.93 71.46 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.265 0.555 . . . . 0.0 110.743 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -78.48 -41.15 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.088 178.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.08 82.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.147 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 808' ' ' SER . . . . . 0.42 ' HB2' ' CD2' ' A' ' 810' ' ' TYR . 1.6 p -70.8 -33.33 70.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.994 0.426 . . . . 0.0 110.203 178.254 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 100.94 -10.33 58.6 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.466 176.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . 0.42 ' CD2' ' HB2' ' A' ' 808' ' ' SER . 13.8 m-85 -80.48 20.73 0.68 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.107 0.48 . . . . 0.0 111.336 -175.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.59 -31.54 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.141 176.179 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.81 85.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.916 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -40.71 96.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.093 0.473 . . . . 0.0 110.53 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.431 ' HA ' HG22 ' A' ' 818' ' ' VAL . 64.8 t80 -64.91 -41.37 95.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.349 -178.17 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . 0.469 HG11 HD21 ' A' ' 890' ' ' LEU . 27.7 m -91.85 11.38 2.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.959 -177.622 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -112.87 -66.11 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.026 178.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 817' ' ' THR . . . . . 0.496 HG21 ' N ' ' A' ' 818' ' ' VAL . 1.0 OUTLIER -81.73 -34.37 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.933 -173.7 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.523 HG13 HG13 ' A' ' 886' ' ' VAL . 98.2 t -60.33 -52.62 71.75 Favored Pre-proline 0 CA--C 1.537 0.452 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.425 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 818' ' ' VAL . 12.3 Cg_endo -57.24 -39.49 89.77 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 121.936 1.757 . . . . 0.0 112.561 177.601 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -73.24 -41.69 63.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.719 -178.773 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -43.72 98.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.178 179.134 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . 0.412 HG12 ' HB2' ' A' ' 883' ' ' ASP . 31.7 t -61.93 -43.51 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 176.817 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 823' ' ' LYS . 6.0 ttpt -63.92 -44.47 92.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 179.041 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -62.8 -38.4 90.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.311 178.304 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.22 -45.49 79.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.956 174.499 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -59.09 -45.94 89.55 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.647 177.391 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 6.8 m -64.28 -45.45 87.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.047 -175.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -76.45 -25.26 54.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.326 -177.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.66 94.68 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.028 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.18 75.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.139 176.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -2.96 58.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.448 178.68 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.9 m 63.6 28.65 15.17 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.132 0.491 . . . . 0.0 110.509 -178.51 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -85.55 74.0 10.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.77 179.082 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.579 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 20.0 m-85 -64.86 -23.14 67.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.058 -177.525 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.09 -39.47 86.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.078 0.466 . . . . 0.0 110.016 175.127 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.6 -34.95 60.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.579 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 1.4 mp -57.62 -47.14 83.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.299 175.129 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.83 99.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.996 178.253 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -60.26 -46.93 88.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 111.019 178.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.3 m -68.58 -38.79 80.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.397 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . 0.42 ' HB3' HD11 ' A' ' 863' ' ' LEU . . . -64.27 -37.92 89.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.074 0.464 . . . . 0.0 110.271 176.66 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . 0.438 ' HD1' ' CD ' ' A' ' 864' ' ' GLU . 3.1 t60 -64.05 -39.42 94.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.183 175.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -45.07 89.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.604 177.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.423 ' O ' HG21 ' A' ' 847' ' ' VAL . 11.8 mt -64.28 -42.47 96.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.462 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.474 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 10.0 ttmt -55.54 -44.17 76.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.053 175.679 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -61.21 -50.43 67.25 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.794 -0.639 . . . . 0.0 113.201 -179.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 844' ' ' LEU . 0.7 OUTLIER -67.52 -39.17 81.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 117.122 0.461 . . . . 0.0 111.52 -176.858 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.24 -41.26 94.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.969 0.414 . . . . 0.0 110.077 178.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . 0.517 ' HA ' ' HE3' ' A' ' 857' ' ' LYS . . . -66.71 -36.02 81.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.787 176.442 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.5 ttt -65.83 -42.77 90.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.073 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 11.4 mt -84.61 -10.16 57.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.409 177.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 62.12 42.28 9.92 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.973 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.759 HD22 ' HB3' ' A' ' 801' ' ' GLU . 0.7 OUTLIER -82.05 82.81 7.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.714 174.919 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.781 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 2.4 t -45.56 -61.66 2.26 Favored Pre-proline 0 N--CA 1.471 0.612 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -169.594 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.781 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 36.9 Cg_exo -58.11 -43.1 50.74 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 121.855 1.703 . . . . 0.0 112.223 -177.804 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -68.44 -38.0 86.35 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.244 179.642 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . 0.663 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 0.0 OUTLIER -67.88 -36.87 81.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.257 178.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -64.66 -36.49 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.156 0.503 . . . . 0.0 109.771 175.158 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 881' ' ' ASP . 13.4 mt -63.0 -48.36 79.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.179 179.878 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . 0.663 ' SG ' ' HA ' ' A' ' 857' ' ' LYS . 0.8 OUTLIER -72.12 -25.85 61.89 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.831 -178.65 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.0 -53.91 51.43 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.221 0.534 . . . . 0.0 110.028 174.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 862' ' ' THR . . . . . 0.445 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -66.99 -34.36 77.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.639 178.405 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.57 ' O ' HG12 ' A' ' 867' ' ' ILE . 0.0 OUTLIER -58.64 -50.17 74.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.327 175.766 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . 0.438 ' CD ' ' HD1' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -56.37 -41.61 76.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.133 0.492 . . . . 0.0 110.733 179.004 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.93 -39.47 90.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.68 177.171 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 70.1 mt -69.47 -30.1 67.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.476 0.179 . . . . 0.0 110.685 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 863' ' ' LEU . 14.6 mm -68.33 -42.82 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 175.85 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.488 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.22 -34.8 78.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.727 179.482 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 38.3 mm-40 -87.04 -8.85 56.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.985 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.28 42.07 18.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.228 -178.538 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -84.73 84.49 7.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.472 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.2 t -50.03 -55.06 26.88 Favored Pre-proline 0 CA--C 1.537 0.443 0 O-C-N 123.574 0.546 . . . . 0.0 112.326 -175.392 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.4 Cg_endo -56.52 -43.83 51.57 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.153 1.902 . . . . 0.0 112.402 178.013 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -64.68 -42.89 97.04 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.802 177.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.417 HG12 HD11 ' A' ' 867' ' ' ILE . 54.8 mt -58.16 -50.78 77.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 177.058 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.6 -48.65 76.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.458 178.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -61.03 -49.51 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.275 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.445 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 8.7 m-85 -72.31 -33.98 67.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -174.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 16.0 mt -61.95 -43.37 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.003 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 6.2 m -67.98 -31.73 71.65 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.758 177.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . 0.432 ' HA ' ' HG ' ' A' ' 884' ' ' SER . 0.7 OUTLIER -70.42 -38.57 74.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.021 0.439 . . . . 0.0 110.741 179.774 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 76.9 mt -69.11 -36.16 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.374 0.607 . . . . 0.0 109.875 174.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . 0.571 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 9.7 t70 -72.47 -42.66 64.69 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.327 -178.008 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 884' ' ' SER . . . . . 0.614 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 17.6 p -64.73 -28.4 69.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.271 176.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -56.07 -53.33 58.35 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 171.234 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.523 HG13 HG13 ' A' ' 818' ' ' VAL . 1.8 m -64.7 -31.52 54.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.454 176.325 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . 0.614 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 0.9 OUTLIER -69.71 -20.43 63.53 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.659 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -30.71 17.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.934 0.397 . . . . 0.0 110.125 174.345 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.04 -50.84 10.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.657 -178.334 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 1.1 pp . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.046 -176.338 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.615 0.245 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -64.57 125.21 23.97 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.018 176.424 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 776' ' ' GLN . 3.2 mt-10 77.14 -72.84 0.09 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 124.065 0.853 . . . . 0.0 110.633 176.669 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -81.87 66.11 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.155 178.355 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.485 ' H ' HG21 ' A' ' 779' ' ' VAL . 1.5 t -68.98 102.74 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.805 -178.615 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 15.8 mt -79.34 63.0 3.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.259 0.552 . . . . 0.0 110.197 179.36 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -131.58 -53.18 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.043 -178.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 37.7 tp 50.43 75.33 0.18 Allowed 'General case' 0 C--O 1.238 0.492 0 O-C-N 123.508 0.505 . . . . 0.0 109.739 -175.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.565 HG23 ' HG2' ' A' ' 784' ' ' GLU . 5.9 mt 69.8 -76.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 115.465 -0.789 . . . . 0.0 108.873 -170.366 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.565 ' HG2' HG23 ' A' ' 783' ' ' ILE . 9.3 pt-20 -173.45 25.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.313 174.119 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 786' ' ' GLN . 1.9 p -97.52 -21.8 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.246 -176.855 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . 0.412 ' N ' HG11 ' A' ' 785' ' ' VAL . 0.0 OUTLIER 68.43 -60.09 0.43 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.722 0.809 . . . . 0.0 112.162 179.225 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.14 -78.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.675 -178.412 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -164.68 138.61 5.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.891 -176.316 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.25 173.01 12.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.8 175.677 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -67.73 152.96 44.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.026 0.441 . . . . 0.0 110.035 177.208 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.39 168.87 12.77 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.339 -170.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.78 116.65 20.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.598 177.727 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -47.27 13.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.245 176.349 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . 0.493 ' C ' ' HG ' ' A' ' 795' ' ' SER . 0.0 OUTLIER 64.95 167.17 0.17 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.534 -179.302 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 795' ' ' SER . . . . . 0.493 ' HG ' ' C ' ' A' ' 794' ' ' GLU . 0.1 OUTLIER 51.76 106.15 0.02 OUTLIER Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.126 0.97 . . . . 0.0 112.121 -177.807 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.92 -88.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.867 2.378 . . . . 0.0 111.596 178.204 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . 0.924 HD13 ' HA ' ' A' ' 801' ' ' GLU . 2.8 mm? -96.29 -54.87 3.13 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.354 0.597 . . . . 0.0 109.404 169.167 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 108.78 -54.87 0.53 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -176.181 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 178.32 132.34 1.7 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 176.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . 0.82 ' HB3' ' HB1' ' A' ' 803' ' ' ALA . 0.3 OUTLIER 65.92 89.02 0.1 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 122.597 0.359 . . . . 0.0 110.751 179.736 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . 0.924 ' HA ' HD13 ' A' ' 797' ' ' LEU . 2.9 mp0 -53.53 -51.26 63.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.3 -175.8 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -35.89 81.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.111 -177.346 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . 0.82 ' HB1' ' HB3' ' A' ' 800' ' ' ASP . . . -74.05 -42.87 59.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.601 -179.526 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 797' ' ' LEU . 4.6 mm100 -64.7 -37.16 86.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.349 178.103 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 2.8 tp -66.65 -33.48 75.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.277 0.56 . . . . 0.0 110.223 176.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.515 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 1.9 t-160 -69.02 -36.82 78.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.753 175.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -78.36 -26.48 46.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.064 -176.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 808' ' ' SER . . . . . 0.457 ' HB2' ' HD2' ' A' ' 810' ' ' TYR . 1.4 p -81.49 -17.11 49.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.917 0.389 . . . . 0.0 111.021 -178.692 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 89.57 5.95 71.18 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.617 178.083 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . 0.457 ' HD2' ' HB2' ' A' ' 808' ' ' SER . 75.1 m-85 -91.02 2.54 56.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.985 0.422 . . . . 0.0 110.437 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.515 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.4 t80 -64.81 -39.46 93.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.653 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.62 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.901 0.382 . . . . 0.0 110.59 177.221 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . 0.467 ' HA ' HD21 ' A' ' 813' ' ' LEU . 0.0 OUTLIER -66.93 -38.68 86.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.214 175.571 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.509 ' O ' ' HD3' ' A' ' 819' ' ' PRO . 84.4 t80 -59.69 -35.41 74.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.816 178.662 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 10.5 m -100.48 14.17 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 0.0 111.371 178.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -101.73 -64.79 1.03 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.384 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.51 -40.55 10.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.115 -174.159 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.676 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 58.5 t -55.9 -56.03 34.77 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -173.573 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.676 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 33.4 Cg_exo -59.7 -33.62 96.45 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.02 1.813 . . . . 0.0 112.085 -179.286 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.41 -42.43 65.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.452 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.56 -35.01 78.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.533 178.669 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 818' ' ' VAL . 56.0 t -62.68 -43.99 99.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.017 0.436 . . . . 0.0 110.149 175.049 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -67.39 -34.03 76.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.148 0.499 . . . . 0.0 110.331 177.077 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.454 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.4 ttp180 -65.19 -41.6 94.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.004 175.545 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.526 ' HG ' ' HB ' ' A' ' 840' ' ' THR . 1.9 mt -55.12 -47.57 74.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.988 0.423 . . . . 0.0 110.109 174.611 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -54.77 -45.53 74.25 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.575 0.702 . . . . 0.0 110.459 175.404 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.0 m -64.17 -46.18 85.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.516 -177.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.461 ' HA ' ' HG1' ' A' ' 831' ' ' THR . 7.8 mm-40 -74.15 -25.93 60.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.01 -177.472 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.49 84.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 0.0 109.897 174.007 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -69.44 -29.82 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.988 175.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 831' ' ' THR . . . . . 0.461 ' HG1' ' HA ' ' A' ' 828' ' ' GLU . 0.3 OUTLIER -78.62 -13.48 59.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.051 176.11 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.59 21.06 12.56 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.721 -175.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -86.11 78.63 9.36 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.145 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.538 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 38.6 m-85 -61.91 -25.54 67.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.411 -179.113 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.7 85.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.16 0.505 . . . . 0.0 109.704 174.347 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -73.86 -36.09 64.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.09 177.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.538 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.4 OUTLIER -58.44 -44.72 89.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.404 174.223 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.1 85.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.222 176.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -61.87 -41.57 98.01 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.309 177.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.526 ' HB ' ' HG ' ' A' ' 825' ' ' LEU . 0.0 OUTLIER -71.05 -42.49 69.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.938 0.399 . . . . 0.0 110.426 179.346 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.15 75.12 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 175.691 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -61.16 -49.43 77.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.618 176.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -42.88 94.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.717 179.068 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 844' ' ' LEU . 6.0 mt -66.21 -46.42 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -177.504 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.451 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 0.0 OUTLIER -60.75 -37.3 81.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.09 178.527 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.45 -51.23 44.26 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.068 -0.586 . . . . 0.0 112.63 178.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.636 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 9.8 p -68.81 -36.2 73.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.938 0.369 . . . . 0.0 111.476 -177.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -66.67 -38.23 86.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . 0.725 ' HB3' ' HD2' ' A' ' 857' ' ' LYS . . . -64.6 -32.5 74.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.103 0.478 . . . . 0.0 110.283 175.03 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.22 -35.74 80.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.579 177.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.4 OUTLIER -86.93 -7.03 58.57 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.601 0.238 . . . . 0.0 110.406 175.525 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 71.84 19.57 4.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.089 177.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.49 81.93 2.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.568 177.844 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.495 ' HB ' ' CD ' ' A' ' 855' ' ' PRO . 3.4 t -52.36 -61.02 5.08 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.924 -174.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.495 ' CD ' ' HB ' ' A' ' 854' ' ' VAL . 8.1 Cg_endo -52.77 -43.72 53.69 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.413 2.075 . . . . 0.0 112.648 -178.793 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.98 -45.78 79.67 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.167 178.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . 0.725 ' HD2' ' HB3' ' A' ' 849' ' ' ALA . 23.4 tttt -62.6 -39.9 95.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.836 0.35 . . . . 0.0 110.107 178.361 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . 0.506 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 8.2 tp60 -66.53 -34.43 77.89 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.42 178.686 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -44.85 86.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 8.9 m -66.2 -35.57 80.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.076 177.171 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . 0.506 ' HG3' ' HA ' ' A' ' 858' ' ' GLN . 1.6 mt-10 -62.78 -48.31 79.7 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.064 0.459 . . . . 0.0 110.351 177.004 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.2 m -66.41 -33.26 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.574 178.211 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -46.33 89.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.214 174.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.18 -42.5 81.3 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.208 0.528 . . . . 0.0 110.183 176.084 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . 0.792 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 12.1 t60 -68.49 -29.55 68.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.26 179.199 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . 0.637 HD23 ' HA3' ' A' ' 874' ' ' GLY . 13.8 mt -75.46 -28.91 59.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.025 0.44 . . . . 0.0 110.258 176.476 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 4.3 mt -72.2 -45.43 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.967 175.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.792 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -64.69 -36.26 83.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.736 178.793 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.568 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.3 OUTLIER -82.42 -12.13 58.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 178.742 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 870' ' ' LYS . 0.0 OUTLIER 57.92 64.76 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.324 -178.279 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -117.2 91.8 3.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.26 176.061 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.684 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 86.4 t -54.24 -54.95 42.13 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.046 -178.129 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.684 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 52.7 Cg_exo -56.17 -39.8 88.93 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.055 1.837 . . . . 0.0 112.159 178.756 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . 0.637 ' HA3' HD23 ' A' ' 866' ' ' LEU . . . -62.93 -49.84 68.84 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.854 177.294 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 879' ' ' ILE . 55.9 mt -57.1 -49.14 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.732 0.301 . . . . 0.0 110.221 177.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.57 -49.56 72.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.258 -179.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -36.19 82.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.376 -178.015 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -74.72 -32.2 62.08 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.031 -178.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 875' ' ' ILE . 89.4 mt -66.86 -41.44 87.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.057 175.321 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -33.22 71.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.955 0.407 . . . . 0.0 109.993 177.138 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -46.03 79.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.379 176.374 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.69 -32.31 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 178.166 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 7.5 t70 -71.68 -44.1 64.85 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.068 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -38.6 83.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.772 -1.103 . . . . 0.0 109.77 173.861 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . 0.479 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 25.3 t80 -59.16 -57.49 12.81 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 122.528 1.156 . . . . 0.0 110.553 178.569 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 1.5 t -62.41 -34.2 63.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 113.292 -1.776 . . . . 0.0 110.28 -178.378 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 0.1 OUTLIER -66.62 -33.58 75.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.704 178.3 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.99 -29.85 39.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 110.498 178.226 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -21.36 60.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.042 0.448 . . . . 0.0 110.619 177.328 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.459 -0.782 . . . . 0.0 110.627 176.368 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 775' ' ' MET . . . . . 0.58 ' HG3' HG23 ' A' ' 779' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.261 0.553 . . . . 0.0 110.752 . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.23 90.53 3.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.565 -179.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.41 -48.28 0.65 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.761 0.824 . . . . 0.0 111.018 -178.037 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -83.93 67.06 9.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.494 178.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 779' ' ' VAL . . . . . 0.58 HG23 ' HG3' ' A' ' 775' ' ' MET . 4.3 t -74.93 -67.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.695 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.57 158.41 31.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.011 173.863 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -104.6 -96.37 0.33 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.219 0.533 . . . . 0.0 109.826 177.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.705 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 0.8 OUTLIER -141.81 -49.16 0.38 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.776 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 783' ' ' ILE . . . . . 0.705 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 1.3 tp -152.37 -131.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 172.57 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.461 ' H ' ' CG1' ' A' ' 783' ' ' ILE . 2.4 mt-10 -119.44 -61.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 119.257 0.935 . . . . 0.0 110.276 178.356 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.607 ' HB ' ' HB2' ' A' ' 788' ' ' ALA . 0.4 OUTLIER -134.52 87.68 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.111 179.572 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -82.09 -44.73 16.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.207 0.527 . . . . 0.0 109.922 -178.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 5.7 mt -104.06 43.08 1.12 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.186 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 788' ' ' ALA . . . . . 0.607 ' HB2' ' HB ' ' A' ' 785' ' ' VAL . . . -152.58 -176.44 5.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.935 -179.272 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.68 47.94 14.89 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.742 0.651 . . . . 0.0 110.809 -177.41 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.49 124.03 19.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.694 175.74 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -173.89 64.22 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.82 -174.603 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 18.8 m -82.3 150.65 4.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.422 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.13 -63.47 0.85 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -175.922 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.21 165.73 0.26 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.669 0.605 . . . . 0.0 110.136 -172.227 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.8 98.42 5.28 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-O 120.81 0.338 . . . . 0.0 111.087 -177.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -71.26 146.96 52.35 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.195 1.93 . . . . 0.0 111.321 174.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 6.1 mt -69.85 -69.09 0.37 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.289 178.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 130.33 -100.87 0.49 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.091 176.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -162.16 24.7 0.22 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.451 -0.88 . . . . 0.0 113.112 -177.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.14 90.51 3.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.28 0.562 . . . . 0.0 109.499 177.5 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.71 -32.06 72.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.31 -172.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 802' ' ' ASN . . . . . 0.403 ' HA ' HD21 ' A' ' 805' ' ' LEU . 2.7 p-10 -64.64 -40.46 95.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.012 0.434 . . . . 0.0 110.33 176.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -66.07 -42.42 89.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.463 178.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -40.94 99.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.835 178.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 805' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -69.89 -29.92 67.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 -179.175 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.447 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 10.5 t-160 -76.15 -37.81 57.52 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.315 174.621 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.24 -37.06 85.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.338 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -33.04 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.037 177.138 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 103.01 8.62 41.52 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.668 177.101 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -96.57 13.01 29.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.342 0.592 . . . . 0.0 111.077 -177.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 811' ' ' TYR . . . . . 0.624 ' OH ' ' HA ' ' A' ' 890' ' ' LEU . 4.8 t80 -60.74 -30.71 70.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.685 174.144 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.66 -48.43 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.388 179.074 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.16 -32.64 73.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.121 0.486 . . . . 0.0 110.194 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 814' ' ' PHE . . . . . 0.473 ' HE1' ' HE1' ' A' ' 848' ' ' PHE . 18.3 t80 -61.2 -41.6 97.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.079 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 815' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 890' ' ' LEU . 28.7 m -93.41 -0.83 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.823 0.344 . . . . 0.0 111.607 -178.294 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -94.82 -66.37 0.92 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.795 -175.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.6 t -102.82 -18.47 15.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -171.175 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 818' ' ' VAL . . . . . 0.431 ' HB ' ' O ' ' A' ' 814' ' ' PHE . 94.5 t -65.73 -56.52 17.72 Favored Pre-proline 0 CA--C 1.536 0.427 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.789 -175.082 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 819' ' ' PRO . . . . . 0.451 ' O ' HG23 ' A' ' 822' ' ' VAL . 21.8 Cg_endo -62.03 -26.05 78.1 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.847 1.698 . . . . 0.0 112.188 178.755 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -33.34 70.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.073 0.464 . . . . 0.0 109.823 177.13 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.98 -34.42 61.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.64 179.424 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 822' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 819' ' ' PRO . 1.1 m -65.89 -37.4 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.626 -0.43 . . . . 0.0 109.845 174.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 823' ' ' LYS . . . . . 0.613 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.2 OUTLIER -68.42 -38.72 81.48 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 174.792 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.66 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -59.66 -45.75 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.639 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.633 ' HG ' HG23 ' A' ' 840' ' ' THR . 1.5 mt -53.26 -47.3 69.2 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.315 0.385 . . . . 0.0 110.515 176.421 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 826' ' ' TYR . . . . . 0.613 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 21.0 m-85 -53.7 -45.86 70.54 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.43 175.167 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.8 m -64.07 -46.53 83.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.903 -177.016 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 828' ' ' GLU . . . . . 0.66 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 14.6 mm-40 -72.56 -30.83 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.623 -177.903 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.78 94.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.638 178.587 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.69 78.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.332 179.185 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 831' ' ' THR . . . . . 0.425 ' C ' ' HG ' ' A' ' 832' ' ' SER . 0.3 OUTLIER -90.76 8.95 32.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.472 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 832' ' ' SER . . . . . 0.425 ' HG ' ' C ' ' A' ' 831' ' ' THR . 1.0 OUTLIER 53.4 35.5 20.62 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.691 0.796 . . . . 0.0 111.005 179.376 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -88.69 71.77 8.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.403 178.084 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 834' ' ' PHE . . . . . 0.607 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 97.3 m-85 -61.1 -28.07 68.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.571 -179.335 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.02 97.33 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.194 0.521 . . . . 0.0 109.93 174.401 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.79 60.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.687 178.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 837' ' ' LEU . . . . . 0.607 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.8 OUTLIER -57.14 -46.97 82.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.113 174.44 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.79 98.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.031 177.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -61.85 -47.41 85.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.633 0.254 . . . . 0.0 111.369 177.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 840' ' ' THR . . . . . 0.633 HG23 ' HG ' ' A' ' 825' ' ' LEU . 5.2 m -63.82 -40.06 95.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.781 179.654 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.5 87.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.911 0.386 . . . . 0.0 110.23 176.024 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -65.56 -41.9 92.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.189 176.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -43.85 92.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.221 177.595 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 844' ' ' LEU . . . . . 0.514 ' HB3' ' SG ' ' A' ' 860' ' ' CYS . 6.4 mt -66.29 -39.18 89.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.635 179.589 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 845' ' ' LYS . . . . . 0.702 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 23.3 ttmt -58.65 -44.24 90.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.821 175.223 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.26 71.35 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.009 -179.175 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 29.9 m -67.5 -39.15 81.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 117.223 0.511 . . . . 0.0 111.512 -176.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.473 ' HE1' ' HE1' ' A' ' 814' ' ' PHE . 3.4 m-85 -69.4 -40.89 77.08 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.53 88.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.941 0.4 . . . . 0.0 110.331 175.33 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 32.8 tpp -63.76 -43.74 95.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.692 176.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 60.7 mt -74.64 -10.78 59.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.214 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 0.8 OUTLIER 80.64 18.3 0.56 Allowed 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.655 0.74 . . . . 0.0 109.777 178.167 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 18.0 mt -87.87 80.6 7.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.898 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 854' ' ' VAL . . . . . 0.596 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 4.4 t -56.8 -52.64 72.24 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.414 -177.542 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 855' ' ' PRO . . . . . 0.596 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 65.0 Cg_exo -53.2 -47.59 26.67 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.36 2.04 . . . . 0.0 112.632 178.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -61.88 -45.86 95.31 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.992 178.02 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.13 -38.55 91.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.622 0.249 . . . . 0.0 110.46 179.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -35.49 79.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.114 178.156 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.55 -45.18 94.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.819 175.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 860' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 15.7 m -64.23 -37.32 87.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.32 177.483 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 861' ' ' GLU . . . . . 0.702 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 15.5 mt-10 -63.15 -45.96 89.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.148 177.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 4.9 m -66.83 -34.62 78.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.585 177.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.43 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -60.52 -47.29 86.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.118 175.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.48 -45.0 73.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.255 0.55 . . . . 0.0 110.288 176.102 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -62.04 -44.27 97.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.879 177.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.35 -36.99 84.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.873 0.368 . . . . 0.0 110.71 179.486 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.435 ' HA ' HD12 ' A' ' 875' ' ' ILE . 43.5 mt -70.19 -39.84 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.975 178.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 868' ' ' ARG . . . . . 0.495 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.28 -33.86 76.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.761 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 869' ' ' GLU . . . . . 0.495 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 10.9 pt-20 -96.52 1.37 51.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.093 0.473 . . . . 0.0 110.682 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 61.18 36.03 18.21 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.479 173.329 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -80.55 79.89 7.09 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.007 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 872' ' ' VAL . . . . . 0.666 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 6.6 t -49.04 -54.04 32.41 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.595 -175.534 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 873' ' ' PRO . . . . . 0.666 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 52.0 Cg_exo -55.87 -39.97 87.93 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.044 1.829 . . . . 0.0 112.336 178.155 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -68.61 -37.99 85.61 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.871 178.652 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.49 ' O ' HG13 ' A' ' 879' ' ' ILE . 47.8 mt -61.84 -55.47 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.416 0.15 . . . . 0.0 111.02 179.322 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 876' ' ' GLU . . . . . 0.543 ' HA ' HD13 ' A' ' 879' ' ' ILE . 4.3 pt-20 -61.71 -40.04 93.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.689 -177.75 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -42.67 94.98 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.34 177.698 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 878' ' ' TYR . . . . . 0.43 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 2.4 m-85 -69.75 -32.03 70.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 -179.126 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 879' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' A' ' 876' ' ' GLU . 78.7 mt -60.55 -45.34 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.561 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -29.06 67.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.981 176.517 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.23 -39.35 75.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.087 0.47 . . . . 0.0 110.24 178.222 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 5.5 mt -67.64 -33.18 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.659 173.541 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 883' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 14.0 t0 -69.56 -48.59 59.81 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.422 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.4 p -63.72 -40.41 96.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.574 178.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -48.71 -56.68 7.86 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 122.16 0.981 . . . . 0.0 109.858 172.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 886' ' ' VAL . . . . . 0.619 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.2 t -67.3 -37.16 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.142 0 CA-C-N 113.535 -1.666 . . . . 0.0 110.758 -176.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 887' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 14.1 mmtm -55.61 -40.97 72.81 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 177.605 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.2 p -90.92 -23.39 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.478 -176.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.6 -25.83 35.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -177.469 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.624 ' HA ' ' OH ' ' A' ' 811' ' ' TYR . 1.6 pp . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.317 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.951 0.405 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -69.4 -36.9 77.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.032 0.444 . . . . 0.0 110.045 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -60.52 -48.47 81.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.602 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -31.33 72.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.69 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -68.21 -40.13 82.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.741 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.08 70.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.832 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -31.18 70.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.966 0.412 . . . . 0.0 110.389 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 107.74 -0.98 34.1 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.833 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.418 ' HD2' HD23 ' A' ' 851' ' ' LEU . 1.4 m-30 -76.8 -0.62 24.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.195 0.522 . . . . 0.0 110.689 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.444 ' O ' HG22 ' A' ' 815' ' ' VAL . 0.9 OUTLIER -61.06 -29.45 69.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.07 174.545 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.49 -40.54 91.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.488 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.2 mt -71.93 -36.6 69.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.011 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 889' ' ' LEU . 0.4 OUTLIER -59.18 -31.88 69.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.535 -178.447 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 815' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 811' ' ' TYR . 11.9 m -106.39 6.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.691 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -97.43 -81.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.718 0.294 . . . . 0.0 110.714 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.0 -21.93 23.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.776 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 92.9 t -64.5 -57.68 16.28 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -173.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.776 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 39.4 Cg_exo -62.5 -28.68 77.88 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 121.923 1.749 . . . . 0.0 111.786 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.5 ' O ' ' HG3' ' A' ' 823' ' ' LYS . 15.5 t70 -66.59 -41.9 87.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.462 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.72 -34.04 71.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.165 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 825' ' ' LEU . 53.7 t -65.74 -49.34 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 823' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -67.26 -29.11 68.64 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.45 178.492 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.729 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 6.5 ttm105 -68.13 -44.29 76.43 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.679 ' HG ' HG21 ' A' ' 840' ' ' THR . 9.8 mt -48.05 -49.87 29.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.979 0.419 . . . . 0.0 110.414 174.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.42 -45.02 92.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.016 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 36.1 m -66.73 -45.47 78.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.387 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.729 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 4.0 mm-40 -71.66 -30.19 65.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.778 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 829' ' ' ALA . . . . . 0.452 ' HB2' HD21 ' A' ' 837' ' ' LEU . . . -64.68 -39.32 93.47 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.867 0.365 . . . . 0.0 110.174 175.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.56 85.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.999 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -10.29 59.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.408 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 6.7 m 66.51 33.77 6.5 Favored 'General case' 0 N--CA 1.46 0.057 0 CA-C-O 121.456 0.646 . . . . 0.0 110.47 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -82.78 76.48 9.62 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.469 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.62 ' HA ' HD12 ' A' ' 837' ' ' LEU . 58.1 m-85 -55.15 -27.71 47.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.014 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.97 91.42 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.113 0.482 . . . . 0.0 110.729 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 836' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 839' ' ' GLN . . . -82.2 -33.94 29.18 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.365 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 834' ' ' PHE . 44.4 mt -60.16 -43.0 96.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.77 -1.104 . . . . 0.0 109.938 174.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -67.62 -49.29 63.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.969 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 839' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 836' ' ' ALA . 0.1 OUTLIER -60.99 -39.59 90.23 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.29 -178.285 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 840' ' ' THR . . . . . 0.679 HG21 ' HG ' ' A' ' 825' ' ' LEU . 4.5 m -73.29 -37.26 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.87 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.33 93.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 110.114 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.59 -38.12 77.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.597 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -47.92 82.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.482 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.586 ' HA ' HG22 ' A' ' 847' ' ' VAL . 11.9 mt -64.96 -41.0 95.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.533 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.695 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 11.1 ttmt -56.28 -44.05 79.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.087 175.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.57 -44.78 70.3 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.762 -0.653 . . . . 0.0 113.083 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.586 HG22 ' HA ' ' A' ' 844' ' ' LEU . 31.4 m -71.91 -32.37 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 117.115 0.458 . . . . 0.0 111.204 -177.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.69 -38.15 73.67 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.6 78.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.081 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 2.6 tpp -66.55 -41.77 88.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.473 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.418 HD23 ' HD2' ' A' ' 810' ' ' TYR . 60.4 mt -74.52 -11.48 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.485 176.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 74.5 25.05 1.67 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.386 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.96 92.95 8.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.868 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.462 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 2.6 t -61.9 -55.94 36.76 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.965 -175.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 10.0 Cg_endo -54.52 -36.74 89.43 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.412 2.075 . . . . 0.0 112.782 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.41 -47.82 67.83 Favored Glycine 0 C--O 1.239 0.436 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.723 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -35.71 80.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -44.74 90.79 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.9 mt -58.88 -44.08 91.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.978 0.418 . . . . 0.0 110.301 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 12.2 m -66.66 -32.38 73.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.075 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 861' ' ' GLU . . . . . 0.695 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 1.4 mm-40 -65.04 -47.98 75.46 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -34.6 78.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.409 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.6 OUTLIER -57.42 -51.08 70.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 177.758 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 864' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 867' ' ' ILE . 2.5 pt-20 -62.95 -36.37 83.22 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 110.426 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -67.35 -38.78 85.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.591 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 866' ' ' LEU . . . . . 0.504 HD22 ' HA3' ' A' ' 874' ' ' GLY . 14.6 mt -67.29 -29.79 69.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.788 0.327 . . . . 0.0 110.383 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 864' ' ' GLU . 23.5 mt -72.37 -38.78 61.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.605 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.38 -35.74 81.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.9 177.834 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.605 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 20.1 mm-40 -85.4 -7.4 58.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 870' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 870' ' ' LYS . 14.6 mmtp 62.07 36.72 15.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.079 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -89.98 82.0 6.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.485 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.9 t -52.03 -53.24 54.0 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.411 -176.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 13.3 Cg_endo -57.53 -35.03 98.91 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.327 2.018 . . . . 0.0 112.424 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 874' ' ' GLY . . . . . 0.504 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -70.36 -42.08 66.1 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.029 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 872' ' ' VAL . 56.2 mt -57.25 -53.39 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.626 0.25 . . . . 0.0 110.46 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 876' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 0.2 OUTLIER -65.59 -33.89 76.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.002 -178.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 877' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -59.1 -49.52 77.57 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.166 176.745 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.501 ' HA ' ' HB2' ' A' ' 881' ' ' ASP . 4.8 m-85 -72.45 -31.88 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 -177.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.21 -43.12 88.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.3 m -67.43 -37.01 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.468 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 881' ' ' ASP . . . . . 0.501 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -65.69 -35.09 79.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.185 0.517 . . . . 0.0 110.597 178.876 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 68.3 mt -73.69 -33.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.155 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -69.29 -46.85 66.2 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.0 p -62.9 -38.49 91.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.067 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 885' ' ' TYR . . . . . 0.5 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 5.7 t80 -60.5 -57.87 10.88 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.995 0.903 . . . . 0.0 110.312 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.474 HG22 ' HE1' ' A' ' 814' ' ' PHE . 0.9 OUTLIER -59.61 -36.56 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 CA-C-N 113.751 -1.568 . . . . 0.0 110.358 -178.154 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 178.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -27.6 61.7 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.572 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 889' ' ' LEU . . . . . 0.481 ' HB3' ' CE2' ' A' ' 814' ' ' PHE . 0.2 OUTLIER -88.14 -13.02 42.34 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.094 -0.243 . . . . 0.0 111.459 -178.528 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.458 176.631 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--O 1.228 -0.053 0 CA-C-O 120.672 0.272 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -71.1 -39.41 72.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.753 0.311 . . . . 0.0 110.416 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -61.63 -47.17 86.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.022 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.561 ' HA ' ' CE1' ' A' ' 810' ' ' TYR . 0.1 OUTLIER -67.93 -32.71 73.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.573 -178.837 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.539 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 18.8 t-80 -70.72 -51.3 28.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.069 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -68.95 -27.63 65.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.977 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 72.4 m -78.92 -1.14 33.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.24 -31.33 4.47 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.535 -0.84 . . . . 0.0 114.02 172.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 805' ' ' LEU . 1.7 p90 -73.38 8.6 1.67 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.655 0.727 . . . . 0.0 111.932 -176.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.539 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 15.6 t80 -61.74 -32.11 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 170.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 812' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -61.22 -42.53 98.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.598 177.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -31.13 63.68 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 109.773 177.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.447 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 51.1 t80 -61.03 -40.08 92.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.608 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 815' ' ' VAL . . . . . 0.435 HG12 HD21 ' A' ' 890' ' ' LEU . 32.1 m -93.42 2.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 0.0 111.212 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 816' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 5.4 t0 -92.24 -61.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.775 -178.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.9 t -104.79 -34.04 8.22 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' A' ' 814' ' ' PHE . 46.2 t -57.36 -55.23 46.55 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -170.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 818' ' ' VAL . 17.9 Cg_endo -60.97 -39.65 59.03 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 121.597 1.531 . . . . 0.0 111.921 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 824' ' ' ARG . 16.3 t70 -65.79 -40.12 91.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.216 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 821' ' ' ASP . . . . . 0.706 ' HB3' HD21 ' A' ' 844' ' ' LEU . 0.4 OUTLIER -60.08 -40.28 89.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.299 177.847 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.5 -42.31 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.448 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 823' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 826' ' ' TYR . 0.1 OUTLIER -62.27 -39.91 94.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.565 177.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.529 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 60.4 mtm-85 -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.21 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.73 -42.0 87.71 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 823' ' ' LYS . 10.9 m-85 -57.37 -43.04 83.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.121 173.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.8 m -65.57 -45.54 82.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.631 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.9 mm-40 -70.94 -28.05 64.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.052 0.453 . . . . 0.0 110.675 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 829' ' ' ALA . . . . . 0.777 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -70.3 -33.93 72.13 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.685 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.12 -30.81 71.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.147 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -7.8 52.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.77 0.319 . . . . 0.0 111.032 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.69 33.07 22.81 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 110.275 -177.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -84.83 76.68 10.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.942 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.616 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 96.9 m-85 -52.74 -30.51 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.705 -178.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.558 0.695 . . . . 0.0 110.182 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -80.78 -34.01 34.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.498 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.777 HD11 ' HA ' ' A' ' 829' ' ' ALA . 0.4 OUTLIER -58.18 -45.97 86.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.929 174.729 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.51 91.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.259 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -64.68 -39.33 93.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.605 0.241 . . . . 0.0 111.202 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 4.9 m -74.05 -38.03 64.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.67 0.271 . . . . 0.0 110.754 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.56 78.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.016 0.436 . . . . 0.0 109.88 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -44.25 94.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.04 173.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 2.8 mtm-85 -64.26 -44.86 90.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.888 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.706 HD21 ' HB3' ' A' ' 821' ' ' ASP . 0.9 OUTLIER -66.59 -40.2 88.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.171 0.51 . . . . 0.0 110.413 -178.321 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -63.14 -40.01 96.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.786 175.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.13 -45.45 71.51 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.955 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 844' ' ' LEU . 16.2 m -65.78 -41.69 90.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 117.091 0.446 . . . . 0.0 111.227 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -67.65 -40.38 84.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.42 -34.74 78.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -60.63 -47.13 87.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.776 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.18 -5.67 59.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.854 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.9 34.67 1.88 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.076 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 853' ' ' LEU . 9.6 mt -85.51 82.71 8.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.158 174.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.521 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 14.3 t -49.31 -54.01 34.01 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.753 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.521 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 49.6 Cg_exo -55.28 -43.71 56.07 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.92 1.747 . . . . 0.0 112.247 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.35 -48.31 70.55 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.375 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -36.13 83.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.569 0.223 . . . . 0.0 110.6 -179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -36.37 83.36 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.116 0.484 . . . . 0.0 110.109 177.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -44.99 90.77 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.878 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 56.5 m -63.8 -42.06 97.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.419 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -58.08 -48.11 81.15 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.094 0.473 . . . . 0.0 110.65 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 7.3 m -66.49 -36.19 82.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.835 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.577 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.6 OUTLIER -63.46 -44.35 94.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.479 176.44 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -36.54 77.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.939 0.399 . . . . 0.0 110.458 177.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -59.99 -47.06 87.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.027 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 866' ' ' LEU . . . . . 0.577 HD22 ' HA3' ' A' ' 874' ' ' GLY . 7.9 mt -64.12 -33.97 76.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.776 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.647 ' HA ' HD11 ' A' ' 875' ' ' ILE . 56.6 mt -74.41 -37.31 44.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.422 0.63 . . . . 0.0 109.558 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -63.13 -36.27 83.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.8 179.295 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.527 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 18.6 pt-20 -92.1 -0.63 57.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.867 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 66.0 mttt 60.36 37.63 20.02 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.763 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -87.45 84.27 7.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.951 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -51.58 68.51 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -176.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.417 ' O ' ' HG3' ' A' ' 876' ' ' GLU . 51.4 Cg_exo -55.44 -42.13 71.21 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.243 1.962 . . . . 0.0 112.554 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 874' ' ' GLY . . . . . 0.577 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -68.09 -38.9 88.76 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.919 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.647 HD11 ' HA ' ' A' ' 867' ' ' ILE . 37.5 mt -61.39 -54.43 35.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.397 0.141 . . . . 0.0 110.737 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 876' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 0.7 OUTLIER -62.33 -36.11 81.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.613 -178.28 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -49.42 76.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.946 0.403 . . . . 0.0 110.642 177.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.577 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 1.6 m-85 -72.21 -32.11 66.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.498 -177.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.472 ' O ' HG22 ' A' ' 882' ' ' ILE . 20.8 mt -62.76 -44.66 99.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.177 174.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 6.0 m -64.17 -32.92 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.053 0.454 . . . . 0.0 110.204 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.62 -33.95 67.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.078 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 882' ' ' ILE . . . . . 0.478 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 1.3 tt -70.84 -31.33 45.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.239 0.542 . . . . 0.0 110.057 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.17 -42.44 62.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.329 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 6.2 p -68.15 -32.14 72.2 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.823 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 885' ' ' TYR . . . . . 0.478 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 74.6 t80 -56.2 -57.68 11.18 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.565 1.174 . . . . 0.0 109.89 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -30.56 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 CA-C-N 113.049 -1.887 . . . . 0.0 110.724 -176.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -70.67 -35.94 73.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.369 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.88 -25.97 61.27 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.245 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 1.7 mp -81.42 -19.07 43.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.612 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.435 HD21 HG12 ' A' ' 815' ' ' VAL . 3.7 mt . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.145 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.37 0 CA-C-O 120.764 0.316 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.27 97.33 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.457 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -56.81 -54.93 40.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.356 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.801 ' HB3' ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -52.86 -48.48 67.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.362 178.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -65.16 -57.71 7.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.543 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -66.01 -33.97 77.02 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -170.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 54.2 p -77.39 -15.61 59.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.061 0.458 . . . . 0.0 111.167 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 81.79 5.3 89.93 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.694 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -80.58 -6.54 58.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.598 -0.301 . . . . 0.0 110.578 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.801 ' HD1' ' HB3' ' A' ' 805' ' ' LEU . 8.6 t80 -56.92 -34.95 68.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.195 176.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.37 -46.03 89.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.625 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -39.24 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.352 0.596 . . . . 0.0 109.823 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.482 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 82.8 t80 -59.31 -41.93 90.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.61 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 815' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 811' ' ' TYR . 29.6 m -96.07 7.3 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.699 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.13 -70.48 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.971 0.415 . . . . 0.0 111.044 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 817' ' ' THR . . . . . 0.422 HG21 HG11 ' A' ' 847' ' ' VAL . 4.1 t -91.24 -33.67 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.902 -173.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.482 ' HB ' ' O ' ' A' ' 814' ' ' PHE . 86.0 t -59.19 -56.17 38.79 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -171.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 818' ' ' VAL . 13.9 Cg_endo -57.83 -38.41 92.79 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 121.873 1.715 . . . . 0.0 112.532 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.43 -32.96 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.809 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.39 -37.33 82.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.989 0.423 . . . . 0.0 110.014 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.92 -44.62 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.853 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.28 -39.78 76.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.069 174.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.683 ' HB3' HG21 ' A' ' 840' ' ' THR . 0.0 OUTLIER -66.01 -48.43 71.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.304 178.249 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 825' ' ' LEU . 7.1 mt -49.66 -46.8 50.13 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.108 0.48 . . . . 0.0 110.233 175.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -60.76 -43.72 97.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.965 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 63.7 m -67.98 -45.64 73.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.512 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.662 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 28.5 mm-40 -69.21 -28.1 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.974 0.416 . . . . 0.0 110.501 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 829' ' ' ALA . . . . . 0.809 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -69.07 -37.58 78.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.694 176.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.85 72.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.254 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -9.11 44.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.434 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.82 34.4 17.16 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.412 -175.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -87.34 73.8 9.56 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.738 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 88.9 m-85 -60.4 -21.34 62.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.724 -175.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.71 82.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.312 0.577 . . . . 0.0 109.793 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -79.12 -31.83 44.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.394 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.809 HD11 ' HA ' ' A' ' 829' ' ' ALA . 0.2 OUTLIER -59.31 -45.72 90.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.187 173.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.58 94.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.521 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -57.12 -47.26 81.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.126 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 840' ' ' THR . . . . . 0.683 HG21 ' HB3' ' A' ' 824' ' ' ARG . 0.3 OUTLIER -72.88 -41.86 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.718 -178.483 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 841' ' ' ALA . . . . . 0.684 ' O ' ' HG3' ' A' ' 845' ' ' LYS . . . -58.62 -47.02 85.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.477 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 842' ' ' HIS . . . . . 0.667 ' HA ' ' HD3' ' A' ' 845' ' ' LYS . 3.0 t60 -58.29 -44.0 88.3 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.469 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.485 ' HD3' ' HA ' ' A' ' 843' ' ' ARG . 0.0 OUTLIER -61.95 -40.55 95.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.749 179.315 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.41 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -64.29 -41.54 96.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.437 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' A' ' 841' ' ' ALA . 29.2 mtpt -55.57 -48.86 74.12 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -62.13 -45.41 96.11 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.626 -0.715 . . . . 0.0 113.415 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.569 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 17.7 m -73.84 -37.34 48.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 117.321 0.561 . . . . 0.0 111.307 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.478 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 0.9 OUTLIER -68.3 -42.15 79.87 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 177.377 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.27 -26.89 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.998 0.428 . . . . 0.0 110.486 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 850' ' ' MET . . . . . 0.534 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 0.1 OUTLIER -62.87 -45.04 94.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.264 177.114 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -85.77 -7.66 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.556 176.222 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.91 39.16 0.67 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.92 0.867 . . . . 0.0 110.461 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.43 75.03 10.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.418 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.757 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 21.2 t -50.35 -58.59 9.31 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -173.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.757 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 51.8 Cg_exo -56.25 -43.13 59.01 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.205 1.937 . . . . 0.0 112.674 -177.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.02 -45.91 78.18 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.812 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 857' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 861' ' ' GLU . 0.0 OUTLIER -63.2 -41.23 99.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.497 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -58.12 -40.71 81.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.617 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.43 -42.56 92.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.012 176.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 22.6 m -66.75 -35.09 79.29 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.736 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 861' ' ' GLU . . . . . 0.635 ' HG2' ' HE3' ' A' ' 845' ' ' LYS . 8.1 mt-10 -66.21 -48.92 69.04 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.39 0.614 . . . . 0.0 110.168 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 862' ' ' THR . . . . . 0.583 ' HB ' ' HE2' ' A' ' 878' ' ' TYR . 1.9 m -63.68 -31.85 73.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.298 176.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -42.19 99.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.337 175.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -57.84 -44.62 86.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.971 0.415 . . . . 0.0 110.013 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.44 -46.98 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.006 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.71 -31.97 72.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.598 0.237 . . . . 0.0 111.084 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 22.1 mt -72.98 -41.74 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.43 -30.89 71.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.362 177.599 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 4.3 tt0 -84.05 -20.06 33.33 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.913 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.29 40.58 6.51 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.764 -174.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -83.35 77.78 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.452 -0.794 . . . . 0.0 108.928 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.646 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 2.6 t -49.2 -55.37 21.7 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.818 -173.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.646 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.2 Cg_exo -54.52 -43.63 57.07 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.2 1.933 . . . . 0.0 112.263 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -66.71 -39.16 93.6 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.087 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.512 ' O ' HG13 ' A' ' 879' ' ' ILE . 71.0 mt -57.66 -58.5 5.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.469 0.176 . . . . 0.0 110.895 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 876' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 6.8 pt-20 -65.04 -36.97 86.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.991 -176.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -38.21 90.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.886 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.583 ' HE2' ' HB ' ' A' ' 862' ' ' THR . 2.5 m-85 -69.99 -40.71 75.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.663 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 875' ' ' ILE . 20.8 mt -64.6 -30.81 51.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.952 0.406 . . . . 0.0 110.062 175.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 28.1 m -67.65 -37.58 82.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.189 175.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.75 -32.46 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.57 -34.01 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.466 0.651 . . . . 0.0 109.865 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.45 -38.27 71.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.308 -177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 884' ' ' SER . . . . . 0.466 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 3.0 p -73.7 -29.99 62.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.396 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -61.45 -57.39 12.4 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.157 0.979 . . . . 0.0 109.297 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.565 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.9 OUTLIER -58.65 -36.47 60.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 114.062 -1.426 . . . . 0.0 109.734 178.173 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 887' ' ' LYS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 0.0 OUTLIER -57.85 -43.85 86.16 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.526 177.595 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.19 -18.65 41.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.191 -176.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 85.9 mt -86.81 -15.2 39.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.109 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 33.6 mt . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.502 174.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 802' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 806' ' ' HIS . 15.0 p-10 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.734 0.302 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -73.05 -37.87 66.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.915 0.388 . . . . 0.0 110.245 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -47.05 82.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.556 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -67.09 -31.55 72.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.418 178.679 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 802' ' ' ASN . 3.5 t-160 -67.43 -40.42 85.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.655 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -74.17 -40.19 62.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.53 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 11.7 m -76.17 3.62 10.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 75.49 20.18 78.77 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.94 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.597 ' HB3' HD22 ' A' ' 851' ' ' LEU . 12.4 m-85 -85.0 -12.58 52.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.81 0.338 . . . . 0.0 110.799 -178.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.417 ' O ' HG22 ' A' ' 815' ' ' VAL . 0.3 OUTLIER -60.95 -30.04 70.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.914 -178.432 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 812' ' ' ALA . . . . . 0.599 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -61.33 -36.0 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.063 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 2.4 mp -85.3 -35.07 21.72 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.363 0.601 . . . . 0.0 110.234 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -56.03 -58.99 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.021 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 815' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 811' ' ' TYR . 27.5 m -82.86 3.01 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.937 0.399 . . . . 0.0 111.348 -176.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 816' ' ' ASP . . . . . 0.599 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 3.2 t70 -96.05 -57.23 2.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.682 -175.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.3 t -106.54 -30.72 8.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.437 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 94.4 t -58.89 -59.18 14.62 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -171.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.685 ' HA ' HG22 ' A' ' 822' ' ' VAL . 30.4 Cg_endo -64.53 -29.84 61.51 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.743 1.629 . . . . 0.0 112.821 -178.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.12 -40.95 67.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.116 0.484 . . . . 0.0 109.939 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.56 -43.13 77.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.828 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.685 HG22 ' HA ' ' A' ' 819' ' ' PRO . 34.7 m -67.75 -31.6 53.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.695 0.283 . . . . 0.0 111.157 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -65.45 -45.96 81.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 11.3 mtp180 -64.47 -37.25 86.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.356 176.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 822' ' ' VAL . 0.8 OUTLIER -54.61 -45.74 73.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.156 175.035 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -37.53 87.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.425 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.1 m -65.32 -46.64 79.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.7 mm-40 -71.14 -25.66 62.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.946 0.403 . . . . 0.0 110.471 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.36 84.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.361 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.26 -24.66 65.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.282 0.563 . . . . 0.0 110.511 175.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 18.9 m -81.15 -11.53 59.43 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.004 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.49 29.02 17.04 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.355 0.662 . . . . 0.0 110.476 -179.141 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -86.87 78.88 8.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.604 0.716 . . . . 0.0 109.755 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.604 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 61.1 m-85 -60.37 -23.84 64.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.187 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.89 85.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.208 0.528 . . . . 0.0 110.1 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.73 58.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.716 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.604 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.1 OUTLIER -57.09 -51.14 70.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.031 175.244 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.0 91.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.165 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -47.61 85.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.659 0.266 . . . . 0.0 111.655 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 840' ' ' THR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 843' ' ' ARG . 1.6 m -72.68 -24.96 61.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.741 0.305 . . . . 0.0 111.119 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.25 86.51 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -61.71 -44.34 97.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.46 ' O ' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -55.23 -51.44 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.668 177.456 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.414 ' HA ' HG22 ' A' ' 847' ' ' VAL . 1.1 mm? -67.38 -39.63 85.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.977 -176.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -61.54 -45.01 95.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.124 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.86 -47.17 68.14 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.852 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.703 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 16.9 m -66.17 -40.72 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 117.225 0.512 . . . . 0.0 111.526 -177.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -65.75 -45.8 81.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.01 70.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.235 0.541 . . . . 0.0 110.338 176.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -43.33 76.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.615 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 8.9 mt -77.88 -6.03 52.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.565 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 852' ' ' ASN . . . . . 0.599 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 2.0 m-80 85.75 9.48 0.3 Allowed 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.1 0.875 . . . . 0.0 110.402 175.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 853' ' ' LEU . 15.5 mt -78.23 81.21 4.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.622 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.466 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 9.6 t -56.67 -56.33 33.69 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.233 -178.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.518 ' HG2' ' OH ' ' A' ' 885' ' ' TYR . 10.5 Cg_endo -56.33 -37.72 96.42 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.323 2.015 . . . . 0.0 113.02 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.48 -50.58 54.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.575 -0.822 . . . . 0.0 111.416 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -38.85 77.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 858' ' ' GLN . . . . . 0.464 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 1.2 tt0 -55.66 -41.8 74.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.837 176.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.2 -44.86 94.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.998 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 3.6 m -62.43 -36.76 83.4 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.951 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 861' ' ' GLU . . . . . 0.464 ' HG3' ' HA ' ' A' ' 858' ' ' GLN . 2.0 mt-10 -62.97 -51.54 66.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.09 0.471 . . . . 0.0 110.553 178.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 862' ' ' THR . . . . . 0.517 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -62.22 -33.29 74.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.77 177.757 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.462 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -61.97 -42.67 99.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.214 175.881 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 864' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 867' ' ' ILE . 46.3 mt-10 -59.46 -42.09 91.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.15 -33.6 76.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.483 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 30.7 mt -72.01 -34.14 68.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.727 0.299 . . . . 0.0 110.519 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 864' ' ' GLU . 11.7 mt -67.3 -45.18 86.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.992 175.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.617 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -60.15 -37.94 81.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.377 177.569 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.617 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.2 OUTLIER -82.27 -13.2 57.4 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.992 -176.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp 65.01 44.66 3.35 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.279 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 871' ' ' ASP . . . . . 0.577 ' O ' HG12 ' A' ' 875' ' ' ILE . 6.0 t70 -100.5 93.09 5.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.394 177.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.663 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 4.1 t -54.11 -52.85 64.9 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.898 -178.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.663 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.4 Cg_exo -54.53 -39.41 88.34 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.234 1.956 . . . . 0.0 112.467 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -62.46 -40.35 98.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.993 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 871' ' ' ASP . 43.9 mm -58.4 -53.15 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.443 0.163 . . . . 0.0 110.82 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -39.5 87.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.599 0.238 . . . . 0.0 110.878 -178.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -66.22 -44.05 84.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.179 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.517 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 2.4 m-85 -75.44 -32.39 60.66 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.303 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 70.8 mt -67.41 -39.11 82.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.255 175.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.2 p -70.12 -30.8 68.09 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.273 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -36.19 72.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.116 0.484 . . . . 0.0 110.351 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -32.53 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.831 173.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 883' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 1.1 t70 -73.29 -45.98 52.39 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.574 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 9.9 p -64.16 -30.4 71.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.11 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 885' ' ' TYR . . . . . 0.518 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 26.2 t80 -60.37 -58.19 9.55 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 122.023 0.916 . . . . 0.0 109.749 174.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.703 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.5 OUTLIER -66.49 -35.67 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.414 -177.246 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 887' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 0.5 OUTLIER -55.23 -47.62 75.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.181 176.16 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 3.5 m -70.89 -31.38 68.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 38.3 mt -69.9 -53.01 19.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.902 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.335 -0.841 . . . . 0.0 110.794 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.477 0.179 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.86 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.017 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -62.52 -41.85 99.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.775 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 814' ' ' PHE . 2.0 tp -65.42 -33.88 76.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.689 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -76.58 -36.21 57.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.29 80.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.484 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.37 -13.22 59.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 110.789 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 75.52 16.82 80.4 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.777 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.617 ' HB3' HD22 ' A' ' 851' ' ' LEU . 1.1 m-85 -92.83 10.0 32.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.022 0.439 . . . . 0.0 110.846 -177.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -33.87 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.359 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 812' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -62.27 -43.51 98.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.836 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -36.1 77.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.123 0.487 . . . . 0.0 110.314 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.583 ' HB2' HD11 ' A' ' 805' ' ' LEU . 46.3 t80 -60.0 -46.92 87.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.985 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 23.3 m -87.46 -0.2 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 111.609 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 816' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 9.9 t70 -95.62 -63.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.186 0.517 . . . . 0.0 110.615 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 4.0 m -79.17 -49.33 12.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.654 -172.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.789 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 39.8 t -56.68 -61.18 7.31 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -168.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.789 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.9 Cg_exo -59.72 -40.65 62.43 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.771 1.647 . . . . 0.0 112.144 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.99 -51.36 59.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.994 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.6 -32.82 72.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.727 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 2.2 t -63.14 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.402 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -65.11 -41.56 94.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.391 176.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.1 OUTLIER -65.54 -37.36 86.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.796 0.332 . . . . 0.0 110.114 176.4 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -44.33 83.16 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.904 174.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -56.87 -44.83 82.63 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.463 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 4.2 m -61.92 -45.64 92.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.229 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 5.3 mm-40 -79.64 -25.74 41.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.403 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.15 88.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.587 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.73 -24.43 65.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.259 0.552 . . . . 0.0 110.669 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 45.6 m -83.17 -14.42 53.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.861 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.91 31.99 8.9 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.529 0.681 . . . . 0.0 110.122 -176.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -88.24 74.25 8.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.451 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.573 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 75.8 m-85 -62.53 -26.73 68.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.483 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.66 98.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.303 0.573 . . . . 0.0 109.783 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.12 -36.02 61.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.627 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.5 OUTLIER -60.49 -44.36 96.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.401 176.592 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.47 94.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.51 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -58.7 -47.67 83.73 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.16 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -38.95 68.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.868 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.35 78.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.777 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -69.31 -42.32 75.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -48.49 81.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.318 177.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.541 ' HA ' HG22 ' A' ' 847' ' ' VAL . 8.2 mt -66.01 -44.06 85.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.673 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.495 ' NZ ' ' HA ' ' A' ' 861' ' ' GLU . 27.5 ttmt -54.08 -47.35 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.204 177.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -65.42 -48.52 68.04 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.86 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.753 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 27.3 m -65.61 -44.04 93.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.96 0.38 . . . . 0.0 111.391 -176.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -62.36 -41.07 98.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.3 . . . . 0.0 110.333 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.43 96.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.84 176.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -35.68 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.829 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 19.8 mt -80.48 -11.04 59.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.65 0.262 . . . . 0.0 110.479 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.77 26.65 2.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.626 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.519 HD22 ' HE2' ' A' ' 885' ' ' TYR . 0.4 OUTLIER -87.13 84.34 7.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.56 177.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.657 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 1.8 t -53.39 -59.32 9.62 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -173.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.657 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 32.3 Cg_exo -58.58 -40.02 77.66 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.043 1.829 . . . . 0.0 112.194 -177.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -64.25 -45.13 94.4 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.925 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -36.03 82.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 109.988 178.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -59.75 -44.6 93.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.327 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 863' ' ' LEU . 12.3 mt -59.49 -43.46 93.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.315 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 39.3 m -64.82 -30.39 71.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.045 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 861' ' ' GLU . . . . . 0.495 ' HA ' ' NZ ' ' A' ' 845' ' ' LYS . 9.7 mm-40 -66.07 -53.86 32.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.526 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 862' ' ' THR . . . . . 0.494 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -64.83 -38.84 92.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.847 178.788 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.597 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.5 OUTLIER -57.94 -49.39 76.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.734 0.302 . . . . 0.0 110.548 177.031 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -45.62 75.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.535 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 865' ' ' HIS . . . . . 0.448 ' O ' ' HG2' ' A' ' 869' ' ' GLU . 3.1 t60 -64.62 -38.18 90.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.688 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 866' ' ' LEU . . . . . 0.578 HD22 ' HA3' ' A' ' 874' ' ' GLY . 12.9 mt -66.98 -30.31 70.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.889 0.376 . . . . 0.0 110.763 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.604 ' HA ' HD11 ' A' ' 875' ' ' ILE . 33.5 mt -73.66 -39.26 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.523 ' HD2' ' OE2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.3 -36.39 81.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.391 177.482 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.523 ' OE2' ' HD2' ' A' ' 868' ' ' ARG . 77.3 mm-40 -79.52 -10.56 59.82 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.37 177.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm 61.82 42.87 10.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.992 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.58 94.57 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.86 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.494 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.3 t -55.77 -53.94 57.34 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.597 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 9.9 Cg_endo -52.45 -45.02 42.65 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.42 2.08 . . . . 0.0 112.768 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 874' ' ' GLY . . . . . 0.578 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -62.93 -43.95 98.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.933 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 867' ' ' ILE . 59.1 mt -59.38 -48.26 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.624 0.249 . . . . 0.0 110.626 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -57.64 -52.35 65.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.295 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -58.64 -43.33 89.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.168 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.597 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 8.4 m-85 -71.09 -38.17 72.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.798 -176.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.87 -45.36 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.412 . . . . 0.0 109.915 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 10.6 m -65.97 -29.26 69.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.13 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -32.24 66.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.039 0.447 . . . . 0.0 110.256 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 17.7 mt -73.32 -32.7 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.215 0.531 . . . . 0.0 109.948 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.79 -41.96 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.2 p -70.06 -30.5 67.77 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.042 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 885' ' ' TYR . . . . . 0.519 ' HE2' HD22 ' A' ' 853' ' ' LEU . 16.9 t80 -59.55 -58.57 8.01 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.838 0.827 . . . . 0.0 110.312 177.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.556 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 8.3 p -68.5 -31.83 52.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.915 -174.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -65.3 -39.23 92.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.01 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 5.4 p -83.52 -19.61 35.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.941 0.401 . . . . 0.0 110.842 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.26 -11.34 38.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.56 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 24.5 mt . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.574 -0.727 . . . . 0.0 111.015 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--O 1.237 0.402 0 CA-C-O 120.872 0.368 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -58.68 -49.91 75.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.172 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -60.43 -43.95 96.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.946 0.403 . . . . 0.0 110.213 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -62.19 -45.21 94.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.03 -175.849 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -80.09 -15.56 56.89 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.915 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.74 75.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.699 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -18.74 59.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.019 0.438 . . . . 0.0 110.83 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 89.05 32.31 10.89 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.288 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.747 ' HB3' HD22 ' A' ' 851' ' ' LEU . 15.6 m-85 -100.53 11.05 40.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.815 0.341 . . . . 0.0 110.779 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.451 ' HD1' ' HA ' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -57.37 -41.68 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.876 -178.444 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.8 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.504 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -31.18 62.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.417 . . . . 0.0 110.487 -177.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.618 ' CE1' HG22 ' A' ' 886' ' ' VAL . 33.9 t80 -61.41 -52.58 64.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.002 -178.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.8 m -80.22 -2.12 5.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.844 0.354 . . . . 0.0 111.425 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -93.26 -65.37 1.0 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.045 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.07 -41.94 21.81 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -169.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.683 HG11 HG21 ' A' ' 886' ' ' VAL . 6.7 t -63.43 -57.76 18.64 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -168.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.674 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.4 Cg_exo -53.89 -42.8 63.63 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.162 1.908 . . . . 0.0 112.966 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.417 ' HA ' ' HB2' ' A' ' 823' ' ' LYS . 0.2 OUTLIER -83.19 -27.28 30.12 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.672 -175.811 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.91 -38.42 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.56 -38.91 83.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.776 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 823' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 826' ' ' TYR . 0.1 OUTLIER -54.83 -49.36 71.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.529 172.866 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -39.59 94.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.484 HD23 HD12 ' A' ' 837' ' ' LEU . 0.6 OUTLIER -55.05 -43.59 73.92 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.12 0.486 . . . . 0.0 109.817 174.171 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 823' ' ' LYS . 3.9 m-85 -60.51 -42.7 96.94 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.571 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 1.9 m -70.41 -45.06 66.65 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.463 -176.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.84 -28.02 62.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.497 -177.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.99 91.64 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.47 91.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.155 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.75 -9.09 59.6 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.871 0.367 . . . . 0.0 111.286 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.5 m 64.96 28.89 12.51 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.587 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -85.65 75.11 10.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 173.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 834' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -61.53 -29.85 70.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.124 -174.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.1 95.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.136 0.493 . . . . 0.0 109.879 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.47 -36.15 53.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.817 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.566 HD21 HG21 ' A' ' 875' ' ' ILE . 16.7 tp -56.33 -48.04 77.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.295 176.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.21 85.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.664 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -60.29 -45.99 91.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 840' ' ' THR . . . . . 0.429 ' HB ' ' HG ' ' A' ' 825' ' ' LEU . 0.2 OUTLIER -65.81 -35.19 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.333 . . . . 0.0 111.066 177.394 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.34 -34.72 78.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.99 0.424 . . . . 0.0 110.212 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 842' ' ' HIS . . . . . 0.537 ' HA ' ' CD ' ' A' ' 845' ' ' LYS . 1.8 t60 -66.83 -40.91 88.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.226 175.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.459 ' O ' HG22 ' A' ' 847' ' ' VAL . 0.5 OUTLIER -60.24 -47.46 85.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.968 175.202 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 844' ' ' LEU . 3.0 mt -62.15 -48.96 77.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.613 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.537 ' CD ' ' HA ' ' A' ' 842' ' ' HIS . 7.6 ptmt -62.28 -31.06 71.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.56 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -71.16 -48.8 30.0 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.415 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.705 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 13.4 m -67.89 -40.64 83.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.66 0.23 . . . . 0.0 111.103 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.427 ' HD1' ' HB2' ' A' ' 853' ' ' LEU . 13.2 m-85 -60.66 -46.73 89.24 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.69 76.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.974 0.416 . . . . 0.0 110.895 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.3 ttt -67.16 -43.66 81.7 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.747 HD22 ' HB3' ' A' ' 810' ' ' TYR . 8.6 mt -78.71 -8.47 58.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.675 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 78.9 26.04 0.48 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.948 0.78 . . . . 0.0 110.391 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.427 ' HB2' ' HD1' ' A' ' 848' ' ' PHE . 77.9 mt -88.66 78.62 7.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.434 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.517 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.3 OUTLIER -54.09 -56.56 24.71 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 115.181 -0.918 . . . . 0.0 113.196 -172.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.517 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 49.6 Cg_exo -56.43 -41.87 71.6 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.048 1.832 . . . . 0.0 112.231 -178.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 856' ' ' GLY . . . . . 0.427 ' HA2' HD12 ' A' ' 859' ' ' LEU . . . -63.31 -45.48 95.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.966 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -63.23 -39.31 94.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.738 0.304 . . . . 0.0 110.428 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -43.64 95.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.422 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.427 HD12 ' HA2' ' A' ' 856' ' ' GLY . 31.4 mt -60.21 -41.74 93.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.433 ' HA ' ' HB2' ' A' ' 863' ' ' LEU . 35.5 m -68.87 -25.69 64.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.321 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 861' ' ' GLU . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 845' ' ' LYS . 8.8 mm-40 -65.66 -53.44 41.15 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.229 0.538 . . . . 0.0 109.651 175.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -37.39 86.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.829 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.616 HD11 HG12 ' A' ' 879' ' ' ILE . 0.1 OUTLIER -54.05 -53.03 58.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.653 176.468 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.35 -42.99 78.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.571 179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -59.27 -44.64 92.44 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 15.1 mt -66.77 -32.39 73.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.588 ' HA ' HD11 ' A' ' 875' ' ' ILE . 32.6 mt -77.19 -36.73 24.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.552 0.692 . . . . 0.0 109.255 -178.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.02 -36.75 85.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.708 178.044 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 21.2 pt-20 -90.25 -1.93 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.051 0.453 . . . . 0.0 110.635 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.36 43.4 13.51 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.923 176.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -94.08 92.57 7.37 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.664 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 17.6 t -55.47 -54.63 48.98 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.471 -174.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.664 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 55.6 Cg_exo -52.93 -45.17 42.83 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.443 2.096 . . . . 0.0 112.695 -178.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -66.68 -38.24 93.05 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.137 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 867' ' ' ILE . 65.5 mt -57.46 -58.37 6.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.527 0.203 . . . . 0.0 110.75 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -34.96 79.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.861 -177.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -47.84 83.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.656 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -71.13 -37.67 72.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.833 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.616 HG12 HD11 ' A' ' 863' ' ' LEU . 55.1 mt -62.39 -44.48 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.851 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 22.3 p -68.8 -30.9 69.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.753 0.311 . . . . 0.0 110.407 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -38.79 71.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.573 177.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 882' ' ' ILE . . . . . 0.448 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 67.8 mt -65.27 -33.09 61.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.476 0.655 . . . . 0.0 109.878 173.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 883' ' ' ASP . . . . . 0.552 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 4.5 t70 -71.8 -48.1 48.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.354 -177.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 7.4 p -66.4 -33.19 75.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.11 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 885' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 50.9 t80 -51.81 -57.28 9.76 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.382 1.087 . . . . 0.0 109.386 173.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.683 HG21 HG11 ' A' ' 818' ' ' VAL . 1.1 t -65.21 -31.72 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 CA-C-N 113.041 -1.89 . . . . 0.0 110.895 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 887' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 6.8 mmtp -56.97 -48.67 77.84 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.775 176.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -26.39 60.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 889' ' ' LEU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 814' ' ' PHE . 0.2 OUTLIER -79.2 -16.13 57.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.762 -178.455 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 56.6 mt . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.835 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.722 0.296 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.79 88.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.003 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -41.21 78.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.515 HD21 ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -62.88 -31.92 73.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.267 0.556 . . . . 0.0 110.343 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -43.28 76.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.454 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -69.07 -26.52 64.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.851 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.84 -11.77 56.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.432 . . . . 0.0 110.944 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 80.49 13.95 80.84 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.398 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.461 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.1 OUTLIER -89.81 -0.28 57.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.146 0.498 . . . . 0.0 110.118 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.515 ' HD1' HD21 ' A' ' 805' ' ' LEU . 59.5 t80 -64.33 -24.31 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.764 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -61.64 -48.65 79.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.004 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -39.59 94.74 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.215 0.531 . . . . 0.0 110.186 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.43 -48.33 71.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.505 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 815' ' ' VAL . . . . . 0.471 HG12 HD22 ' A' ' 890' ' ' LEU . 34.8 m -93.57 12.02 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.976 0.417 . . . . 0.0 111.435 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -106.59 -59.11 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.68 -40.33 10.79 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.844 HG11 HG21 ' A' ' 886' ' ' VAL . 21.5 t -59.78 -55.52 44.92 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -169.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.629 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.4 Cg_exo -55.7 -49.14 16.8 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.852 1.701 . . . . 0.0 112.648 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 824' ' ' ARG . 26.1 t70 -61.19 -39.78 91.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.874 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.83 -32.21 63.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.464 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 11.5 t -61.8 -51.04 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.812 0.339 . . . . 0.0 110.197 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 823' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 820' ' ' ASP . 0.9 OUTLIER -70.58 -25.32 63.02 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.15 177.832 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -65.44 -46.49 79.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.873 174.145 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.432 HD23 HD23 ' A' ' 837' ' ' LEU . 5.9 mt -56.01 -42.64 76.76 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.258 176.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -58.98 -40.7 85.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.591 175.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 19.7 m -66.17 -45.12 82.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.875 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 5.0 mm-40 -66.2 -33.32 75.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.398 . . . . 0.0 110.329 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 829' ' ' ALA . . . . . 0.647 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -67.79 -32.48 73.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.497 177.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.53 90.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.264 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.29 -4.41 41.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.284 177.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 56.46 32.15 20.18 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.572 0.749 . . . . 0.0 110.225 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -92.76 76.03 4.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.554 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.572 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 86.1 m-85 -58.31 -29.04 65.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.88 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.33 88.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.329 0.585 . . . . 0.0 110.164 176.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.72 -36.49 50.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.647 HD11 ' HA ' ' A' ' 829' ' ' ALA . 0.7 OUTLIER -55.1 -48.35 73.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.979 173.704 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 838' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 842' ' ' HIS . . . -63.62 -37.84 88.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.2 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -62.27 -48.21 80.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.904 0.383 . . . . 0.0 110.615 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.0 m -63.24 -46.38 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.861 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.61 73.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.996 0.427 . . . . 0.0 111.067 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 842' ' ' HIS . . . . . 0.447 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 8.1 t60 -67.92 -39.63 83.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.993 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -32.56 71.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.171 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.518 ' HA ' HG22 ' A' ' 847' ' ' VAL . 7.0 mt -68.17 -39.95 82.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.257 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.568 ' HE2' ' HA ' ' A' ' 861' ' ' GLU . 84.6 mttt -50.12 -53.8 24.96 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.177 0.513 . . . . 0.0 110.021 171.284 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -59.53 -45.85 94.91 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 114.839 -1.073 . . . . 0.0 113.29 -176.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.652 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 20.2 m -71.13 -38.24 70.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 117.28 0.54 . . . . 0.0 111.663 -176.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -67.84 -42.77 80.89 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -65.44 -29.1 69.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.147 0.499 . . . . 0.0 110.322 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 850' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 5.0 ttm -64.02 -43.27 96.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.701 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -84.23 -9.46 58.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.389 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.43 35.08 2.07 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.938 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.67 89.72 7.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.45 -1.25 . . . . 0.0 109.101 175.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.998 HG13 ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -58.91 -51.48 81.6 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.486 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.998 ' HD3' HG13 ' A' ' 854' ' ' VAL . 29.4 Cg_exo -61.09 -39.59 58.34 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 121.672 1.581 . . . . 0.0 112.267 -176.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -64.43 -48.45 73.68 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.203 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.45 -35.35 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -57.76 -44.85 86.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.146 0.498 . . . . 0.0 110.364 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 863' ' ' LEU . 19.7 mt -62.22 -43.68 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.481 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 38.8 m -62.92 -33.39 75.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.358 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 861' ' ' GLU . . . . . 0.568 ' HA ' ' HE2' ' A' ' 845' ' ' LYS . 1.9 mm-40 -67.82 -53.66 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.692 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 862' ' ' THR . . . . . 0.546 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -63.26 -32.61 74.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.958 178.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.635 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -60.34 -48.28 82.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.412 175.841 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 864' ' ' GLU . . . . . 0.511 ' HA ' HD12 ' A' ' 867' ' ' ILE . 0.9 OUTLIER -61.47 -34.98 76.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.714 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -63.3 -43.51 97.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.895 0.379 . . . . 0.0 110.231 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 15.0 mt -65.41 -31.15 72.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.915 0.388 . . . . 0.0 110.399 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.6 ' HA ' HD11 ' A' ' 875' ' ' ILE . 57.4 mt -72.04 -41.73 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.534 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 868' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -27.89 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.82 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 869' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -88.08 -7.05 57.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.286 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.33 37.21 25.94 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.14 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -91.58 86.39 6.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.895 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 876' ' ' GLU . 0.7 OUTLIER -52.96 -55.2 35.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.757 -173.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.4 Cg_endo -55.69 -38.14 94.63 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.409 2.073 . . . . 0.0 112.158 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.46 -41.79 90.11 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.615 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 867' ' ' ILE . 52.7 mt -61.89 -55.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.791 -0.205 . . . . 0.0 110.851 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 876' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 6.8 pt-20 -59.82 -38.49 82.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.974 -176.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -37.16 85.29 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.844 0.354 . . . . 0.0 110.747 178.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.635 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -71.65 -34.74 70.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.639 0.257 . . . . 0.0 110.686 179.673 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 875' ' ' ILE . 50.4 mt -63.6 -41.34 92.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 176.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -28.95 66.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.905 0.383 . . . . 0.0 110.44 178.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.84 -35.92 75.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.456 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 7.1 mt -69.97 -33.39 55.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.388 0.614 . . . . 0.0 109.586 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -69.85 -43.52 71.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.373 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.8 p -69.98 -36.69 75.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.176 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -54.61 -58.28 8.14 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 122.473 1.13 . . . . 0.0 109.878 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.844 HG21 HG11 ' A' ' 818' ' ' VAL . 1.0 OUTLIER -68.68 -32.29 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.235 -176.67 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -55.93 -42.47 76.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.234 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.27 -19.53 24.0 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.37 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -10.56 56.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.58 0.229 . . . . 0.0 111.524 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 86.2 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.505 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 14.5 t30 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.814 0.34 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.16 84.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.518 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.63 -47.47 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.83 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.576 ' HA ' ' HE1' ' A' ' 810' ' ' TYR . 0.0 OUTLIER -62.04 -36.49 81.75 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -177.715 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -71.53 -40.85 69.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.758 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.63 86.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.578 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 12.6 m -68.5 -19.76 64.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 111.133 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 93.66 -2.01 69.53 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.689 -0.767 . . . . 0.0 114.473 168.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.576 ' HE1' ' HA ' ' A' ' 805' ' ' LEU . 0.2 OUTLIER -91.05 39.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.885 0.842 . . . . 0.0 110.958 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -67.22 -26.93 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.405 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.22 77.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.196 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 18.9 mt -59.34 -32.0 69.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.09 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.539 ' O ' ' HD3' ' A' ' 819' ' ' PRO . 30.9 t80 -63.47 -30.94 71.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.847 -176.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.44 -25.13 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.517 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.25 -52.02 10.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.284 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.76 -46.81 4.81 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 -172.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.71 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 95.0 t -53.83 -56.82 21.42 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -172.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.71 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 38.8 Cg_exo -61.65 -33.73 85.71 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.209 1.94 . . . . 0.0 111.977 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -70.09 -38.91 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.2 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -37.55 82.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.627 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 818' ' ' VAL . 92.2 t -62.8 -43.37 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.154 0.502 . . . . 0.0 109.813 174.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 823' ' ' LYS . . . . . 0.512 ' HB3' ' HE3' ' A' ' 823' ' ' LYS . 15.7 ttpp -64.65 -38.07 89.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.004 175.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -60.73 -42.29 97.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.227 176.352 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.596 HD23 HD12 ' A' ' 837' ' ' LEU . 4.1 mt -55.71 -45.69 77.84 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 174.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -60.76 -36.64 79.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.803 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 7.2 m -70.11 -42.04 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.737 -175.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.505 ' HB2' HD13 ' A' ' 837' ' ' LEU . 47.8 mm-40 -78.61 -27.64 45.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.854 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 829' ' ' ALA . . . . . 0.539 ' HA ' HD21 ' A' ' 837' ' ' LEU . . . -69.59 -29.64 67.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.074 173.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.74 79.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.808 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.43 -10.98 53.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.166 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 65.4 29.38 11.42 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.5 0.667 . . . . 0.0 110.115 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -84.93 78.47 9.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.272 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.755 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 52.2 m-85 -57.85 -27.64 63.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.482 -178.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.19 93.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.226 0.536 . . . . 0.0 109.882 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 836' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' A' ' 839' ' ' GLN . . . -79.1 -29.35 43.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.748 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.755 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.0 OUTLIER -60.4 -46.57 89.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.039 173.828 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.35 97.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.458 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 839' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 836' ' ' ALA . 6.5 mm100 -60.68 -47.62 85.45 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.014 176.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 840' ' ' THR . . . . . 0.441 ' CG2' ' HG ' ' A' ' 825' ' ' LEU . 6.0 m -69.01 -38.18 79.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.26 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.32 82.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.162 0.506 . . . . 0.0 109.873 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -70.73 -37.55 73.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.342 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -48.06 81.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.27 177.312 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 844' ' ' LEU . 1.9 mt -66.35 -41.11 90.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -56.73 -45.9 81.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.931 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.25 -48.11 66.8 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.997 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.566 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 23.7 m -68.26 -36.86 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 117.354 0.577 . . . . 0.0 111.329 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.69 -38.3 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.05 -32.68 74.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.085 0.469 . . . . 0.0 110.328 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -37.47 74.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.582 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 73.1 mt -80.23 -8.49 59.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.157 175.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 68.25 27.01 6.79 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.559 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 853' ' ' LEU . 0.9 OUTLIER -85.66 93.23 8.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.768 179.649 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.648 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 1.7 t -54.06 -58.26 14.35 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -174.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 47.9 Cg_exo -56.88 -42.44 64.51 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.892 1.728 . . . . 0.0 112.154 -178.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.02 -43.21 93.93 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.059 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 857' ' ' LYS . . . . . 0.614 ' HD3' ' HA ' ' A' ' 854' ' ' VAL . 0.0 OUTLIER -66.09 -38.94 89.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.712 0.291 . . . . 0.0 110.435 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 858' ' ' GLN . . . . . 0.492 ' N ' ' HG2' ' A' ' 857' ' ' LYS . 33.9 tt0 -65.46 -38.87 91.09 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.607 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -47.5 85.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.01 176.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 57.0 m -64.4 -36.32 83.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.499 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.0 -49.93 75.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.314 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 862' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.7 m -68.4 -35.27 77.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.852 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.575 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -60.13 -45.15 93.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.764 0.316 . . . . 0.0 110.213 175.497 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -37.22 81.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.527 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 865' ' ' HIS . . . . . 0.759 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 4.1 t60 -63.66 -33.89 76.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.328 174.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 866' ' ' LEU . . . . . 0.538 HD22 ' HA3' ' A' ' 874' ' ' GLY . 11.3 mt -74.57 -33.34 62.66 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 122.132 -0.355 . . . . 0.0 110.314 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.694 HD12 ' HB3' ' A' ' 837' ' ' LEU . 19.1 mm -66.83 -47.58 82.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.05 174.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.759 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -62.23 -34.68 76.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.705 179.115 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.596 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.8 OUTLIER -88.77 -2.73 58.74 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.408 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 870' ' ' LYS . . . . . 0.408 ' HD2' ' O ' ' A' ' 867' ' ' ILE . 2.2 mptm? 54.12 48.96 19.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.801 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -105.6 96.04 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.714 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.749 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 11.9 t -53.77 -56.98 19.65 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.445 -175.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.749 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.7 Cg_exo -54.34 -45.14 43.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 122.23 1.953 . . . . 0.0 112.42 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 874' ' ' GLY . . . . . 0.538 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -65.51 -41.3 96.32 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.262 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.521 ' O ' HG13 ' A' ' 879' ' ' ILE . 59.6 mt -56.11 -59.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.412 0.148 . . . . 0.0 110.965 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 876' ' ' GLU . . . . . 0.551 ' HA ' HD12 ' A' ' 879' ' ' ILE . 10.9 pt-20 -66.53 -34.47 77.98 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.111 -176.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 877' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -59.43 -41.31 89.27 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.934 0.397 . . . . 0.0 110.517 177.503 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.575 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 2.5 m-85 -73.96 -32.32 63.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 876' ' ' GLU . 64.7 mt -60.94 -41.69 89.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 1.5 m -63.15 -36.23 82.93 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.655 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.86 -39.96 87.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.819 0.342 . . . . 0.0 110.638 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 94.9 mt -68.57 -33.93 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.129 0.49 . . . . 0.0 110.208 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 883' ' ' ASP . . . . . 0.508 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 0.0 OUTLIER -72.67 -42.09 64.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.63 -177.21 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.5 p -66.44 -33.22 75.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.743 176.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 885' ' ' TYR . . . . . 0.445 ' HE2' HD13 ' A' ' 853' ' ' LEU . 36.0 t80 -62.03 -58.11 9.09 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 122.503 1.144 . . . . 0.0 110.157 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.74 -31.41 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-N 113.637 -1.62 . . . . 0.0 110.743 -176.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 887' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 7.4 mtpt -69.72 -28.91 66.21 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.781 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 61.8 m -75.27 -28.74 59.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.473 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.15 -58.85 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.262 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--O 1.246 0.885 0 CA-C-O 119.104 -0.474 . . . . 0.0 111.199 -175.973 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 802' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 806' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.37 0.129 . . . . 0.0 110.826 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.37 73.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.343 . . . . 0.0 111.225 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -39.59 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.491 -177.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 814' ' ' PHE . 0.1 OUTLIER -64.42 -33.69 76.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.655 178.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 802' ' ' ASN . 3.1 t-160 -74.49 -44.64 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.582 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.04 76.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.834 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 3.1 p -80.21 -6.07 57.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.765 0.317 . . . . 0.0 111.134 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 76.39 12.27 84.4 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.574 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.443 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.3 OUTLIER -80.49 -8.41 59.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.891 0.377 . . . . 0.0 110.514 -178.439 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -55.46 -37.91 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.978 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.98 94.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.845 177.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -37.06 83.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.228 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 805' ' ' LEU . 88.7 t80 -63.78 -53.86 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.862 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.79 -17.13 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -175.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -74.84 -65.38 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -95.87 -36.89 10.95 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -171.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.654 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 64.4 t -58.1 -56.79 31.3 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -169.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.654 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 31.6 Cg_exo -59.4 -41.98 53.08 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.922 1.748 . . . . 0.0 112.55 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.927 ' HA ' ' HD3' ' A' ' 823' ' ' LYS . 0.5 OUTLIER -73.48 -34.31 65.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.751 -177.814 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -35.27 80.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 175.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.595 ' HA ' HD12 ' A' ' 825' ' ' LEU . 49.9 t -63.9 -46.57 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.992 177.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 823' ' ' LYS . . . . . 0.927 ' HD3' ' HA ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -70.24 -26.11 63.69 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.348 178.335 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -68.47 -38.08 80.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 172.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 822' ' ' VAL . 4.0 mt -60.57 -41.22 94.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 172.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.835 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 17.0 m-85 -55.1 -42.55 73.06 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.023 173.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 6.0 m -66.6 -45.26 79.76 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.621 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.9 77.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.227 -177.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.87 82.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.819 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.15 -26.88 66.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.513 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.86 1.05 52.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.548 0.213 . . . . 0.0 111.338 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.2 m 62.11 32.23 17.53 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.355 0.597 . . . . 0.0 110.692 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.64 70.45 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.332 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 834' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -58.45 -38.23 77.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.669 -173.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.85 85.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.347 0.594 . . . . 0.0 110.731 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 836' ' ' ALA . . . . . 0.622 ' O ' ' HG3' ' A' ' 839' ' ' GLN . . . -80.76 -34.22 34.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.515 0.674 . . . . 0.0 109.293 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.517 HD21 HG21 ' A' ' 875' ' ' ILE . 15.1 tp -59.04 -39.58 82.42 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.788 172.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.41 -50.22 70.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.475 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 839' ' ' GLN . . . . . 0.622 ' HG3' ' O ' ' A' ' 836' ' ' ALA . 1.7 pp0? -61.26 -34.6 75.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.306 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.2 m -71.27 -43.73 66.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.876 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.66 -32.03 73.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.135 0.493 . . . . 0.0 110.334 177.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 842' ' ' HIS . . . . . 0.814 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 8.7 t60 -59.96 -49.9 75.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.114 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 843' ' ' ARG . 1.3 ttm180 -65.77 -37.33 86.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.956 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.485 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.2 OUTLIER -63.0 -48.36 79.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.169 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.814 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -62.53 -32.16 73.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.463 . . . . 0.0 109.895 177.567 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 846' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 845' ' ' LYS . . . -68.26 -49.66 44.46 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.666 177.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 844' ' ' LEU . 20.7 m -64.09 -36.08 75.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.91 0.355 . . . . 0.0 110.899 -178.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -64.21 -43.41 95.09 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.57 77.42 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 4.6 mtm -59.03 -50.4 74.23 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.51 0.672 . . . . 0.0 110.633 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.02 -1.34 56.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.483 -176.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 73.36 26.47 2.04 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.53 0.681 . . . . 0.0 111.033 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.0 mt -86.2 72.59 10.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.256 176.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.694 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 21.9 t -51.39 -54.69 36.01 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.78 -175.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.694 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 46.5 Cg_exo -56.56 -37.75 96.83 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.095 1.863 . . . . 0.0 112.398 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.42 -44.36 84.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.508 178.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 857' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 861' ' ' GLU . 4.3 tttm -63.52 -39.43 94.41 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -55.04 -44.51 74.73 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.583 177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.36 -44.47 95.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.306 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 77.3 m -66.71 -35.54 80.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.543 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 861' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 857' ' ' LYS . 75.9 mm-40 -60.77 -48.07 83.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.394 0.616 . . . . 0.0 110.076 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.4 m -67.43 -32.33 73.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.604 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.723 ' HA ' HD12 ' A' ' 866' ' ' LEU . 0.2 OUTLIER -60.65 -47.79 84.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.204 174.668 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 864' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 867' ' ' ILE . 1.7 mt-10 -58.89 -37.59 76.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 0.0 110.224 176.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 865' ' ' HIS . . . . . 0.485 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 1.9 t60 -62.19 -39.73 93.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.171 175.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 866' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 863' ' ' LEU . 11.7 mt -67.45 -43.13 81.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.388 178.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.569 ' HA ' HD11 ' A' ' 875' ' ' ILE . 23.8 mt -64.69 -44.42 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.486 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -61.17 -33.73 73.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.153 -178.599 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 10.9 pt-20 -102.78 12.94 35.56 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.296 -0.561 . . . . 0.0 111.357 -178.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 58.03 38.31 26.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.126 -0.943 . . . . 0.0 112.406 173.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -88.1 83.28 7.01 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 173.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.533 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 0.7 OUTLIER -56.82 -54.35 55.12 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.004 -178.071 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.533 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 36.9 Cg_exo -59.1 -34.95 98.87 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.104 1.869 . . . . 0.0 112.395 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 874' ' ' GLY . . . . . 0.552 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -67.18 -42.13 91.56 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.737 176.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 867' ' ' ILE . 39.6 mt -55.78 -50.32 68.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.139 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -55.53 -48.16 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.002 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -49.1 78.54 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.231 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -69.47 -33.77 73.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.42 -44.37 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.23 177.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -35.39 80.95 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.891 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -71.13 -36.65 72.18 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.985 0.421 . . . . 0.0 111.093 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 80.4 mt -68.93 -34.27 63.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.311 0.577 . . . . 0.0 109.93 174.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.32 -44.72 67.65 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.516 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.9 p -64.61 -40.04 94.79 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.195 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.07 -55.92 27.05 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.776 0.798 . . . . 0.0 109.998 176.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 1.4 t -61.54 -36.19 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.886 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 887' ' ' LYS . . . . . 0.466 ' HA ' HD12 ' A' ' 890' ' ' LEU . 0.0 OUTLIER -65.55 -38.55 89.92 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -25.69 61.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.996 0.427 . . . . 0.0 110.402 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.96 -24.06 52.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.774 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 887' ' ' LYS . 28.6 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.186 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 802' ' ' ASN . . . . . 0.972 ' HA ' HD23 ' A' ' 805' ' ' LEU . 24.7 t30 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.011 0.434 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.29 97.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.201 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -50.58 71.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.972 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.1 OUTLIER -65.07 -37.22 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.687 -176.206 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.532 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 0.2 OUTLIER -82.55 -16.56 48.13 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.129 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -78.78 -34.44 45.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 110.78 176.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -15.14 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.104 0.478 . . . . 0.0 110.88 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.32 33.91 11.2 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.169 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -106.98 14.3 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 110.483 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.467 ' HD1' ' HA ' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -69.25 -32.2 71.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.28 -178.56 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.21 93.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.552 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.7 tt -67.44 -39.65 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.395 177.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -56.6 -38.04 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.82 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 815' ' ' VAL . . . . . 0.432 HG12 HD22 ' A' ' 890' ' ' LEU . 24.5 m -99.36 1.92 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.701 0.286 . . . . 0.0 111.46 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -96.87 -68.48 0.8 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.113 -176.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.29 -24.51 15.64 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -171.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.644 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 52.2 t -64.81 -54.24 36.99 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.644 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 51.7 Cg_exo -54.72 -44.35 50.49 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.17 1.913 . . . . 0.0 112.82 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.72 -26.97 61.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.374 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -75.66 -32.43 60.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 110.253 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.562 ' HA ' HD12 ' A' ' 825' ' ' LEU . 78.9 t -63.76 -41.42 92.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 170.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 823' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.2 OUTLIER -61.42 -37.47 83.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.18 174.095 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.655 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 5.0 ttm105 -59.7 -45.2 92.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.123 176.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 822' ' ' VAL . 12.8 mt -55.72 -43.68 76.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.953 0.406 . . . . 0.0 110.316 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.418 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 20.1 m-85 -59.04 -40.91 86.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.43 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 4.7 m -67.41 -46.19 73.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.493 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.655 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.1 mm-40 -71.63 -30.03 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.65 -177.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 829' ' ' ALA . . . . . 0.425 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -67.45 -38.46 84.53 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.351 176.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.28 -39.39 93.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.354 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 1.4 p -84.68 -7.81 59.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.359 . . . . 0.0 111.117 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.94 31.02 7.34 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.238 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -88.07 78.16 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.255 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.684 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 51.7 m-85 -65.77 -18.32 65.25 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.367 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -71.63 -41.53 68.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.278 0.561 . . . . 0.0 109.583 173.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.13 -35.01 56.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.295 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.684 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 5.7 mt -55.63 -48.82 74.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.091 174.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.93 98.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.988 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.06 -37.52 87.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.373 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 840' ' ' THR . . . . . 0.608 ' O ' ' HG2' ' A' ' 843' ' ' ARG . 6.1 m -70.97 -40.51 71.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.723 0.297 . . . . 0.0 110.589 177.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.0 -32.83 74.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.995 0.426 . . . . 0.0 110.039 175.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -49.36 78.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.798 175.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 840' ' ' THR . 2.9 ptm85 -68.28 -36.22 79.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.915 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.555 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.1 OUTLIER -69.07 -39.87 78.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 110.26 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -58.28 -44.37 88.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.734 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.02 78.14 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.09 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' A' ' 844' ' ' LEU . 30.8 m -69.2 -34.61 64.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 117.006 0.403 . . . . 0.0 111.361 -177.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.465 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 1.6 m-30 -71.52 -40.47 70.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.54 -38.19 83.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.24 -44.25 88.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.428 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 84.6 mt -72.42 -9.79 58.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 852' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.3 m-80 79.99 20.98 0.56 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.855 0.722 . . . . 0.0 110.187 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.417 HD11 HD22 ' A' ' 889' ' ' LEU . 0.2 OUTLIER -87.05 78.31 8.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.523 177.056 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.498 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 1.6 t -53.04 -53.24 57.6 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.776 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 19.4 Cg_endo -58.69 -32.89 97.79 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.26 1.973 . . . . 0.0 112.13 177.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.05 -47.52 64.72 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.641 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -34.65 78.54 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -42.16 91.13 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.684 176.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 855' ' ' PRO . 77.8 mt -62.03 -46.68 88.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.345 176.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.95 -35.78 79.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.0 -48.8 78.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.079 0.466 . . . . 0.0 110.435 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 862' ' ' THR . . . . . 0.433 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 3.6 m -68.78 -30.14 68.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.959 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -60.89 -48.79 80.2 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 173.877 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 864' ' ' GLU . . . . . 0.503 ' HA ' HD12 ' A' ' 867' ' ' ILE . 25.2 mt-10 -58.64 -37.41 75.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.394 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 865' ' ' HIS . . . . . 0.59 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 0.2 OUTLIER -64.82 -36.68 85.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.356 176.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 4.5 mt -72.64 -36.05 67.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.867 0.365 . . . . 0.0 110.18 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 864' ' ' GLU . 30.7 mt -65.92 -43.39 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.183 175.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.59 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -65.95 -29.1 69.45 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.456 177.605 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 8.7 tt0 -83.27 -15.58 49.68 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.083 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.27 33.25 19.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.568 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -87.74 82.64 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 176.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 876' ' ' GLU . 73.1 t -50.08 -55.63 23.22 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.688 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.3 Cg_endo -54.11 -43.3 59.62 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.187 1.925 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.36 -34.02 83.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.32 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.518 ' O ' HG13 ' A' ' 879' ' ' ILE . 66.2 mt -61.78 -56.52 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 876' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 0.9 OUTLIER -60.82 -39.82 90.45 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.643 0.258 . . . . 0.0 110.811 -178.058 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -40.35 95.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.864 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.433 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.1 OUTLIER -70.11 -32.88 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.811 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 875' ' ' ILE . 69.3 mt -63.77 -40.72 90.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -31.37 68.45 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.442 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -69.81 -40.52 75.87 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.219 0.533 . . . . 0.0 110.346 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 81.1 mt -66.41 -33.64 64.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.83 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 883' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 8.7 t70 -73.67 -43.31 59.76 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.825 -177.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 884' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 4.0 p -63.86 -31.36 72.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.005 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -51.06 70.46 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.56 0.695 . . . . 0.0 109.46 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.506 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.5 OUTLIER -64.7 -31.79 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.345 178.532 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 887' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 34.0 mmtm -58.19 -45.41 87.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.809 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -21.13 37.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.568 -176.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 889' ' ' LEU . . . . . 0.417 HD22 HD11 ' A' ' 853' ' ' LEU . 0.1 OUTLIER -87.75 -22.03 24.8 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 6.5 mt . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.694 -0.67 . . . . 0.0 110.879 177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.726 0.298 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.1 77.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -65.22 -34.81 79.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.505 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.65 -34.18 77.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.208 0.528 . . . . 0.0 110.326 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.536 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 4.9 t-160 -72.01 -43.77 64.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 175.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.46 79.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.986 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -18.17 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.065 0.46 . . . . 0.0 111.015 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 86.15 -5.1 85.09 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.351 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -81.61 -0.6 43.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.027 0.441 . . . . 0.0 110.38 -178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.536 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.3 t80 -52.63 -41.69 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.422 174.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.13 90.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.158 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -43.66 84.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.211 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.591 ' CZ ' HG22 ' A' ' 886' ' ' VAL . 76.7 t80 -55.32 -51.52 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.394 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 815' ' ' VAL . . . . . 0.459 HG12 HD22 ' A' ' 890' ' ' LEU . 32.1 m -81.15 -10.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.76 0.314 . . . . 0.0 111.81 -176.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -78.56 -63.4 1.41 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.668 0.27 . . . . 0.0 111.136 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.44 -49.63 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -172.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.723 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 49.0 t -52.2 -59.2 8.95 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -168.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.723 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.1 Cg_exo -57.37 -47.29 22.73 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.001 1.8 . . . . 0.0 112.727 -176.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.517 ' HA ' ' HE3' ' A' ' 823' ' ' LYS . 0.7 OUTLIER -71.66 -29.76 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.775 -177.529 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -31.47 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.253 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 42.0 t -63.48 -43.76 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 173.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 823' ' ' LYS . . . . . 0.517 ' HE3' ' HA ' ' A' ' 820' ' ' ASP . 15.9 mtmt -59.76 -41.47 91.11 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.181 174.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.532 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 6.8 tpt180 -63.01 -44.93 94.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.294 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.26 -45.73 79.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.497 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -37.39 75.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.101 0.477 . . . . 0.0 110.618 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 39.7 m -67.02 -45.56 77.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.851 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 9.0 mm-40 -72.87 -27.74 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.664 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.29 -35.74 80.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.135 175.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.09 73.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.989 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -5.65 58.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.172 178.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 64.27 30.19 13.54 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.586 0.707 . . . . 0.0 110.23 -177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -84.34 74.54 10.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.963 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.42 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 35.5 m-85 -59.08 -29.81 67.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.807 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.34 94.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.034 0.445 . . . . 0.0 110.216 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.7 -36.89 59.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.589 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.8 OUTLIER -56.64 -50.0 73.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.058 174.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.44 95.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.25 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -60.33 -47.67 85.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.075 0.464 . . . . 0.0 111.22 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.2 m -68.69 -39.52 80.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.34 86.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.381 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 842' ' ' HIS . . . . . 0.607 ' O ' ' HG2' ' A' ' 845' ' ' LYS . 0.1 OUTLIER -56.92 -49.85 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.382 174.833 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 843' ' ' ARG . 5.2 ttm180 -63.7 -40.71 97.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.188 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.444 ' HA ' HG22 ' A' ' 847' ' ' VAL . 2.6 mt -69.94 -41.05 75.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.216 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 842' ' ' HIS . 15.9 ptmt -64.23 -32.79 74.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.126 177.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.19 -46.47 64.7 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.497 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.444 HG22 ' HA ' ' A' ' 844' ' ' LEU . 15.5 m -69.18 -36.66 74.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 117.005 0.402 . . . . 0.0 111.739 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -72.12 -39.89 68.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 0.0 110.098 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.66 84.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.289 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.5 ttm -64.91 -40.31 94.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.164 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 44.0 mt -78.73 -9.82 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.759 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 76.91 6.74 3.22 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.663 0.744 . . . . 0.0 110.683 173.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.09 93.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.589 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.493 ' HB ' ' CD ' ' A' ' 855' ' ' PRO . 16.4 t -56.1 -60.17 9.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.42 -174.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.543 ' HG2' ' OH ' ' A' ' 885' ' ' TYR . 10.5 Cg_endo -55.84 -42.16 69.95 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.174 1.916 . . . . 0.0 112.517 -178.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 856' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 859' ' ' LEU . . . -64.04 -46.35 91.5 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.226 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 857' ' ' LYS . . . . . 0.721 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 0.0 OUTLIER -67.6 -37.69 82.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.446 -179.696 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -36.07 78.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.294 174.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 856' ' ' GLY . 19.6 mt -62.19 -49.45 75.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.744 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.721 ' SG ' ' HA ' ' A' ' 857' ' ' LYS . 0.1 OUTLIER -70.88 -34.89 72.05 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.394 -177.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.96 -45.85 87.26 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.091 0.472 . . . . 0.0 110.432 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 25.0 m -65.22 -37.13 86.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.167 176.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.701 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.8 OUTLIER -60.31 -43.35 96.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.414 176.453 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.27 -45.74 83.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.174 0.511 . . . . 0.0 110.432 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 865' ' ' HIS . . . . . 0.588 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 17.8 t60 -64.74 -33.63 76.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.443 177.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 866' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 863' ' ' LEU . 26.1 mt -68.92 -40.04 79.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.836 0.35 . . . . 0.0 110.383 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.507 ' HA ' HD11 ' A' ' 875' ' ' ILE . 36.3 mt -67.07 -44.81 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 177.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -62.0 -34.89 77.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.321 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 869' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -90.26 -0.5 57.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.73 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.1 42.98 30.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.027 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -91.53 80.05 5.45 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.507 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 1.9 t -53.3 -50.13 84.27 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.803 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 12.5 Cg_endo -56.89 -43.27 55.94 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.102 1.868 . . . . 0.0 112.419 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 874' ' ' GLY . . . . . 0.468 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -63.81 -43.99 96.86 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.879 -0.676 . . . . 0.0 111.863 177.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.507 HD11 ' HA ' ' A' ' 867' ' ' ILE . 62.3 mt -55.72 -50.63 66.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.649 0.262 . . . . 0.0 110.411 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -53.88 -49.65 68.05 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.988 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -40.38 96.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.123 -177.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.701 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 3.1 m-85 -75.99 -32.15 59.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.414 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 875' ' ' ILE . 17.0 mm -60.18 -49.59 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.31 -28.78 66.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.675 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 881' ' ' ASP . . . . . 0.427 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -69.21 -34.87 75.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.853 0.358 . . . . 0.0 110.657 177.644 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 10.4 mt -71.06 -33.56 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 173.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.87 -45.62 67.28 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 884' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 6.5 p -66.22 -32.63 74.18 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.246 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 885' ' ' TYR . . . . . 0.543 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 24.7 t80 -57.39 -58.22 9.21 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 122.462 1.125 . . . . 0.0 109.715 175.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.626 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 2.0 t -65.75 -35.98 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.967 -1.924 . . . . 0.0 110.275 -176.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 887' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 4.0 mttp -56.36 -45.7 80.35 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.965 176.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.3 m -83.25 -15.48 50.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.238 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.24 -33.49 59.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 178.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.321 175.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 32.1 t30 . . . . . 0 CA--C 1.524 -0.03 0 CA-C-O 120.491 0.186 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.5 91.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -67.5 -45.24 76.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.858 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.61 HD21 ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -69.59 -26.52 64.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.582 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.43 -46.45 63.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.836 174.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.12 82.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.95 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -12.0 60.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 76.87 17.68 79.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.939 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.499 ' HB3' ' CD2' ' A' ' 851' ' ' LEU . 10.0 m-30 -94.03 -6.71 44.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.941 0.4 . . . . 0.0 110.469 -177.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.61 ' HD1' HD21 ' A' ' 805' ' ' LEU . 91.2 t80 -59.31 -36.17 75.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.482 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.16 -37.23 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.2 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.4 mt -78.22 -34.62 49.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.288 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.535 ' HB2' HD11 ' A' ' 805' ' ' LEU . 53.4 t80 -57.83 -53.46 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.44 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 815' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 811' ' ' TYR . 9.1 m -79.04 -9.12 12.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.501 -177.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -85.24 -70.66 0.57 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.999 0.428 . . . . 0.0 111.439 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 3.4 t -89.53 -32.11 17.32 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -171.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.639 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 63.4 t -62.65 -55.03 42.57 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.639 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.1 Cg_exo -61.07 -38.86 64.45 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.584 1.523 . . . . 0.0 111.812 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.27 -29.04 63.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.446 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 821' ' ' ASP . . . . . 0.589 ' HB3' HD11 ' A' ' 844' ' ' LEU . 0.3 OUTLIER -68.02 -37.2 81.1 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.537 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 883' ' ' ASP . 56.1 t -61.66 -41.37 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.91 173.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -59.74 -39.96 86.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.234 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.67 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -61.01 -45.74 93.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.177 176.73 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 822' ' ' VAL . 30.3 mt -52.48 -46.47 66.57 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.533 176.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -36.18 82.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.768 178.282 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 19.0 m -66.15 -45.55 80.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.7 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 7.2 mm-40 -67.57 -34.58 77.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 829' ' ' ALA . . . . . 0.428 ' HA ' HD21 ' A' ' 837' ' ' LEU . . . -63.65 -41.48 98.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.793 177.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -68.14 -29.21 68.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.164 0.506 . . . . 0.0 110.641 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 6.7 m -83.53 -12.0 56.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.807 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.4 25.55 15.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.625 0.726 . . . . 0.0 109.896 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -91.74 78.04 5.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.337 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.767 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 24.8 m-85 -62.6 -22.69 66.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.727 -178.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.68 -40.15 92.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.282 0.563 . . . . 0.0 109.708 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -76.16 -32.12 58.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.008 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.767 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.0 OUTLIER -55.6 -49.96 71.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.812 173.449 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.82 99.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.227 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -60.28 -44.74 95.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.993 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 6.0 m -66.92 -44.19 81.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.925 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.57 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.971 0.415 . . . . 0.0 110.728 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -47.8 84.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.143 175.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.526 ' HD2' ' OD1' ' A' ' 821' ' ' ASP . 32.5 ttm105 -62.13 -44.46 96.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.392 178.282 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 821' ' ' ASP . 0.1 OUTLIER -64.82 -38.11 89.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.035 -178.22 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.639 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 8.5 ttmt -62.25 -43.81 97.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.853 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.25 -47.98 61.18 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.612 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.68 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 27.6 m -66.06 -36.53 77.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-N 116.872 0.336 . . . . 0.0 111.279 -177.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.43 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 0.2 OUTLIER -67.33 -40.97 85.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.732 0.301 . . . . 0.0 110.365 179.339 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.9 86.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.221 175.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -36.84 78.21 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.818 177.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 70.4 mt -74.44 -11.76 60.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.412 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 79.11 14.96 1.06 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.642 176.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.7 83.31 8.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.8 177.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.436 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 12.1 t -53.46 -56.85 20.42 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.296 -176.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 12.9 Cg_endo -56.83 -32.9 93.33 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.13 1.886 . . . . 0.0 112.216 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.51 -45.39 78.2 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.696 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -36.27 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -63.35 -39.08 93.57 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.635 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.24 -49.18 78.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.486 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 29.7 m -63.44 -34.25 77.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.097 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 861' ' ' GLU . . . . . 0.639 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 1.2 mm-40 -61.02 -51.81 67.64 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.153 0.502 . . . . 0.0 110.394 177.085 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 862' ' ' THR . . . . . 0.475 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.7 m -65.13 -36.32 83.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.946 178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.594 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -58.56 -49.64 76.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.154 176.565 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.17 -39.93 80.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.768 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 865' ' ' HIS . . . . . 0.4 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 20.8 t-80 -67.45 -36.12 80.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.614 177.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 28.4 mt -67.11 -39.88 86.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.933 0.397 . . . . 0.0 110.471 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.428 ' HA ' HD11 ' A' ' 875' ' ' ILE . 29.5 mt -66.04 -42.63 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.405 177.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.83 -28.5 69.03 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.763 178.73 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 20.0 mm-40 -85.06 -5.2 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.145 178.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 57.17 38.65 29.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.986 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -89.17 86.66 6.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.506 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.617 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 0.5 OUTLIER -53.37 -58.51 12.42 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.815 -170.771 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.617 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 42.6 Cg_exo -57.35 -36.15 98.88 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.072 1.848 . . . . 0.0 112.046 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -65.72 -40.15 95.63 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.036 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 872' ' ' VAL . 41.0 mt -62.55 -52.9 54.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.743 0.306 . . . . 0.0 110.474 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 876' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 872' ' ' VAL . 8.7 mt-10 -59.23 -43.43 92.35 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.592 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -59.69 -47.75 84.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.733 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.598 ' HA ' ' HB2' ' A' ' 881' ' ' ASP . 0.2 OUTLIER -69.31 -33.73 73.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.741 -176.328 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 77.6 mt -58.78 -47.15 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 1.5 m -67.84 -28.72 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.967 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 881' ' ' ASP . . . . . 0.598 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 2.6 m-20 -69.07 -40.89 78.19 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.123 0.487 . . . . 0.0 110.621 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.91 -33.67 60.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.147 0.499 . . . . 0.0 109.976 175.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 883' ' ' ASP . . . . . 0.777 ' HB2' HG11 ' A' ' 822' ' ' VAL . 1.9 t70 -69.61 -46.69 65.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.612 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 9.6 p -64.18 -32.95 74.73 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.313 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -55.16 28.29 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.055 0.931 . . . . 0.0 110.091 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.586 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.3 t -61.94 -39.48 83.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.465 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -64.55 -33.61 76.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.719 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.3 -27.45 42.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.444 176.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -48.19 80.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.973 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.264 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 802' ' ' ASN . . . . . 0.559 ' HA ' HD23 ' A' ' 805' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.597 0.237 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.87 89.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.901 0.381 . . . . 0.0 110.613 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -45.67 74.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.765 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -63.5 -34.24 77.34 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.105 0.479 . . . . 0.0 110.358 179.346 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -68.29 -42.02 80.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.324 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -66.06 -29.24 69.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.817 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 -2.8 58.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.821 0.343 . . . . 0.0 111.218 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 72.07 32.21 63.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.085 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.41 ' HB3' HD22 ' A' ' 851' ' ' LEU . 13.7 m-85 -96.21 0.66 51.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.679 0.276 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -42.47 94.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 812' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -60.9 -32.24 71.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.57 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.84 -33.78 24.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.071 0.462 . . . . 0.0 109.885 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -60.78 -46.16 91.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.626 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 815' ' ' VAL . . . . . 0.64 HG12 HD22 ' A' ' 890' ' ' LEU . 18.7 m -82.81 -6.17 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.709 -178.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 816' ' ' ASP . . . . . 0.525 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 8.0 t70 -90.65 -72.49 0.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.872 0.368 . . . . 0.0 111.386 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 3.8 t -79.57 -31.15 41.86 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -171.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.678 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 94.0 t -63.58 -55.54 33.78 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.982 -173.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.678 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 38.2 Cg_exo -59.51 -35.43 95.82 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.846 1.697 . . . . 0.0 112.203 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 823' ' ' LYS . 5.4 t0 -71.44 -39.81 70.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.343 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.76 -34.82 74.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.451 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.11 -37.87 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 173.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 823' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 820' ' ' ASP . 1.4 mtpt -57.06 -55.43 34.87 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.93 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.516 ' HG3' HG21 ' A' ' 840' ' ' THR . 2.4 ptp180 -64.74 -36.08 83.14 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.92 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.569 HD23 HD23 ' A' ' 837' ' ' LEU . 1.1 mt -55.14 -48.88 73.07 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.14 0.495 . . . . 0.0 110.209 175.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.413 ' HD1' ' HA ' ' A' ' 826' ' ' TYR . 0.0 OUTLIER -65.42 -42.42 92.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.819 178.842 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 29.9 m -65.52 -42.45 92.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.803 -174.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.492 ' HA ' ' OG1' ' A' ' 831' ' ' THR . 5.8 mm-40 -78.61 -25.13 45.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.001 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 829' ' ' ALA . . . . . 0.807 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -63.15 -35.84 81.63 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 172.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.61 89.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.833 174.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 831' ' ' THR . . . . . 0.492 ' OG1' ' HA ' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -72.17 -9.74 58.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.572 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.3 m 62.31 32.94 16.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.716 0.77 . . . . 0.0 109.692 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.68 73.65 10.39 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.174 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.543 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 62.1 m-85 -59.65 -29.45 68.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.222 -176.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 835' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 839' ' ' GLN . . . -64.39 -41.31 96.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.241 0.543 . . . . 0.0 109.953 175.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.31 -36.4 54.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.807 HD11 ' HA ' ' A' ' 829' ' ' ALA . 1.8 mt -55.64 -49.21 73.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.113 175.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.7 98.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.118 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 839' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 835' ' ' ALA . 64.9 mm-40 -61.96 -45.43 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.845 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 840' ' ' THR . . . . . 0.516 HG21 ' HG3' ' A' ' 824' ' ' ARG . 2.3 m -70.78 -37.16 73.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.107 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.41 93.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.056 0.455 . . . . 0.0 109.961 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -40.5 97.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.467 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -59.92 -50.38 73.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.562 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.493 ' HA ' HG22 ' A' ' 847' ' ' VAL . 1.6 tp -67.66 -37.53 82.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.714 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.711 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 10.1 ttmt -61.39 -43.44 98.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.168 176.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.29 76.37 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.681 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.52 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 26.1 m -70.97 -30.31 40.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.865 0.333 . . . . 0.0 111.353 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.42 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 2.8 m-30 -70.87 -46.27 62.93 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.15 -25.57 67.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.242 0.544 . . . . 0.0 110.059 174.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -48.84 31.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.446 175.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 13.6 mt -90.83 19.58 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.196 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 58.93 35.44 24.14 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.102 0.961 . . . . 0.0 112.008 170.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.64 67.66 2.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.644 171.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.507 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -56.9 -54.7 51.48 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.674 -171.497 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.507 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 51.3 Cg_exo -55.73 -39.2 92.49 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.141 1.894 . . . . 0.0 112.341 177.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.64 -42.42 95.45 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.437 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -42.39 99.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -38.12 77.77 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.221 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.97 -43.15 96.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.339 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.454 ' HB2' ' HB2' ' A' ' 845' ' ' LYS . 34.3 m -64.78 -36.44 84.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.299 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 861' ' ' GLU . . . . . 0.711 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 2.4 mt-10 -64.14 -48.68 75.09 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.21 0.529 . . . . 0.0 110.173 177.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 862' ' ' THR . . . . . 0.688 ' HB ' ' HE2' ' A' ' 878' ' ' TYR . 2.4 m -64.57 -32.97 74.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.609 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.426 ' HG ' ' CB ' ' A' ' 878' ' ' TYR . 0.5 OUTLIER -60.25 -45.91 91.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.125 174.793 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.19 -43.03 78.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.404 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -65.14 -40.78 94.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.951 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.47 -33.78 76.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.16 0.505 . . . . 0.0 110.3 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.487 ' HA ' HD11 ' A' ' 875' ' ' ILE . 16.1 mt -68.2 -42.44 84.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.437 0.637 . . . . 0.0 109.56 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.68 -33.38 74.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.54 179.198 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 1.8 tp10 -76.94 -12.85 60.01 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.73 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 65.34 43.71 3.42 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.151 -177.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -99.88 87.82 3.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.596 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.548 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 3.4 t -58.83 -50.31 88.67 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.137 -175.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 7.3 Cg_endo -51.5 -45.35 38.15 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.28 1.987 . . . . 0.0 112.375 176.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -63.0 -40.35 99.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.293 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 872' ' ' VAL . 61.7 mt -59.67 -54.69 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.44 0.162 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 876' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -65.56 -34.41 78.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.745 0.307 . . . . 0.0 110.842 -177.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 877' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 3.7 mtpp -64.92 -43.44 92.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.411 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.688 ' HE2' ' HB ' ' A' ' 862' ' ' THR . 2.4 m-85 -69.65 -34.11 73.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.737 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.9 -43.5 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 3.8 m -67.61 -31.0 70.73 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.801 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 881' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 885' ' ' TYR . 3.8 m-20 -73.78 -35.45 64.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.257 0.551 . . . . 0.0 110.448 178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 11.2 mt -68.46 -33.42 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.702 174.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -47.29 62.25 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.484 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.7 p -62.5 -38.7 90.92 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.812 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 885' ' ' TYR . . . . . 0.434 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 1.2 t80 -62.81 -55.84 22.74 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.212 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.545 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.2 t -62.81 -32.26 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.588 -1.187 . . . . 0.0 110.37 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.85 -43.87 86.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.008 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -25.33 37.3 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.49 -178.211 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -17.19 34.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.64 HD22 HG12 ' A' ' 815' ' ' VAL . 18.0 mt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.515 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 802' ' ' ASN . . . . . 0.481 ' HA ' HD23 ' A' ' 805' ' ' LEU . 3.0 t-20 . . . . . 0 C--O 1.237 0.428 0 CA-C-O 121.003 0.43 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.37 75.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.858 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -64.84 -38.11 89.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.918 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -61.88 -43.06 99.61 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -177.443 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.438 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 3.3 p-80 -80.94 -21.32 40.53 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.827 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -72.11 -40.48 68.12 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.752 0.311 . . . . 0.0 111.318 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.1 p -78.4 -15.95 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.964 0.411 . . . . 0.0 110.796 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.93 26.02 30.31 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.712 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.594 ' HB3' HD22 ' A' ' 851' ' ' LEU . 8.1 m-30 -92.58 11.97 24.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.068 0.461 . . . . 0.0 110.723 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -40.14 86.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.117 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.43 76.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 -177.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 47.6 mt -70.16 -33.55 71.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.066 0.46 . . . . 0.0 110.302 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -65.48 -52.57 51.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.075 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.5 -25.16 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.835 -175.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 816' ' ' ASP . . . . . 0.608 ' O ' ' HB ' ' A' ' 817' ' ' THR . 1.3 t0 -100.26 52.35 0.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.637 -177.051 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 817' ' ' THR . . . . . 0.608 ' HB ' ' O ' ' A' ' 816' ' ' ASP . 3.6 t 173.9 -45.77 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.452 170.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.458 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 95.0 t -65.3 -61.75 5.6 Favored Pre-proline 0 CA--C 1.535 0.384 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -171.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.458 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 19.3 Cg_endo -60.31 -35.15 92.54 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.783 1.656 . . . . 0.0 112.107 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.25 -38.28 75.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.864 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 821' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 824' ' ' ARG . 4.5 m-20 -70.54 -29.68 66.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.024 177.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.414 ' HA ' HD12 ' A' ' 825' ' ' LEU . 36.5 t -64.23 -45.57 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.367 175.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -64.81 -36.19 83.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.159 0.504 . . . . 0.0 109.99 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.618 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 2.9 ttm180 -61.32 -47.17 87.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.841 175.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.464 ' HG ' HG21 ' A' ' 840' ' ' THR . 16.5 mt -52.68 -45.9 67.02 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.295 0.372 . . . . 0.0 110.329 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -55.35 -44.17 75.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 110.481 176.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 17.2 m -67.57 -46.26 73.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.162 -176.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 30.9 mm-40 -74.13 -32.49 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -176.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.67 81.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.729 0.299 . . . . 0.0 110.551 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.22 92.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.211 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 -7.3 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.444 178.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 59.6 m 66.9 36.88 4.18 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.333 0.587 . . . . 0.0 110.705 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -81.46 75.94 8.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.526 0.679 . . . . 0.0 109.279 175.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.459 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 64.1 m-85 -62.82 -24.56 67.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.429 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.58 86.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.247 0.546 . . . . 0.0 110.087 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.23 -35.27 55.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.809 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.56 HD23 HG12 ' A' ' 867' ' ' ILE . 1.2 tp -57.04 -43.41 81.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.476 174.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.31 87.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.856 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -59.24 -46.11 89.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 840' ' ' THR . . . . . 0.464 HG21 ' HG ' ' A' ' 825' ' ' LEU . 6.2 m -64.97 -44.42 89.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.011 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.53 83.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.546 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -63.17 -43.94 96.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.693 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -42.99 99.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.327 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.484 ' HB3' ' SG ' ' A' ' 860' ' ' CYS . 7.3 mt -66.64 -52.56 43.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.508 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 860' ' ' CYS . 19.6 ptmt -57.84 -40.64 80.57 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -69.97 -47.4 46.79 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.689 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.551 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 3.5 p -69.31 -31.95 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.903 0.352 . . . . 0.0 111.267 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.499 ' HD2' ' HB3' ' A' ' 853' ' ' LEU . 5.3 m-85 -68.24 -44.2 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 849' ' ' ALA . . . . . 0.599 ' HB2' ' HD2' ' A' ' 857' ' ' LYS . . . -60.92 -33.65 73.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.444 175.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -38.08 68.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.946 178.274 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.594 HD22 ' HB3' ' A' ' 810' ' ' TYR . 67.5 mt -79.94 -5.77 56.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.656 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 81.02 16.01 0.57 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.853 174.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.499 ' HB3' ' HD2' ' A' ' 848' ' ' PHE . 0.3 OUTLIER -87.57 72.91 9.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.328 175.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.428 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.1 OUTLIER -49.62 -56.38 17.17 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.722 -175.309 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.428 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 50.3 Cg_exo -55.11 -35.53 90.79 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.162 1.908 . . . . 0.0 112.409 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 856' ' ' GLY . . . . . 0.402 ' HA3' ' CD2' ' A' ' 848' ' ' PHE . . . -66.58 -41.35 94.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.989 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 857' ' ' LYS . . . . . 0.599 ' HD2' ' HB2' ' A' ' 849' ' ' ALA . 13.6 tttp -61.78 -42.57 99.16 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -61.94 -36.11 80.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.563 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -44.51 96.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.16 176.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.514 ' HB2' ' HB3' ' A' ' 845' ' ' LYS . 13.9 m -70.51 -26.68 63.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.261 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.39 -53.66 48.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.253 0.549 . . . . 0.0 109.888 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 862' ' ' THR . . . . . 0.622 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 58.0 m -64.8 -30.65 71.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.607 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 878' ' ' TYR . 0.0 OUTLIER -60.04 -53.33 59.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.818 176.34 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 864' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 867' ' ' ILE . 0.4 OUTLIER -61.81 -33.55 74.32 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.941 0.4 . . . . 0.0 110.264 179.762 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 865' ' ' HIS . . . . . 0.539 ' N ' ' HG3' ' A' ' 864' ' ' GLU . 61.9 t-80 -66.47 -42.27 87.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.226 176.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 866' ' ' LEU . . . . . 0.455 HD22 ' HA3' ' A' ' 874' ' ' GLY . 22.7 mt -65.6 -41.41 92.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.769 0.318 . . . . 0.0 110.519 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.628 ' HA ' HD11 ' A' ' 875' ' ' ILE . 20.0 mt -62.04 -43.89 98.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 110.175 176.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 868' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -28.65 68.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.379 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 869' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.75 2.86 56.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.623 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 61.27 29.6 18.75 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.512 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.95 72.6 8.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.148 -179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.703 ' HA ' HD12 ' A' ' 875' ' ' ILE . 16.2 t -54.26 -48.78 93.47 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.468 -177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.2 Cg_endo -55.63 -40.38 85.67 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.055 1.837 . . . . 0.0 112.193 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 874' ' ' GLY . . . . . 0.455 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -66.94 -42.5 92.71 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.897 176.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 872' ' ' VAL . 55.7 mt -57.12 -52.05 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 CA-C-O 120.779 0.323 . . . . 0.0 110.461 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.57 -50.05 68.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.6 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -58.44 -49.12 78.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.296 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.622 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.1 OUTLIER -67.33 -32.4 73.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.302 -176.43 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 875' ' ' ILE . 69.2 mt -65.12 -40.19 88.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.586 176.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -31.93 72.99 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.056 0.455 . . . . 0.0 110.54 176.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.28 -36.48 74.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.216 0.531 . . . . 0.0 110.136 176.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 8.0 mt -68.13 -33.65 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.219 0.533 . . . . 0.0 109.876 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -45.57 65.83 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.55 -176.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.1 p -62.79 -37.28 86.07 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.75 177.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 885' ' ' TYR . . . . . 0.421 ' HD1' ' HA ' ' A' ' 885' ' ' TYR . 0.1 OUTLIER -62.48 -58.38 7.8 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.926 178.094 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.446 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.4 t -64.2 -34.49 69.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.856 -176.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -56.11 -49.51 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.48 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.3 m -81.39 -13.58 58.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.649 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.71 -35.48 22.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.51 0.195 . . . . 0.0 111.322 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 95.6 mt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.009 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 802' ' ' ASN . . . . . 0.822 ' HA ' HD23 ' A' ' 805' ' ' LEU . 1.9 t-20 . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.515 0.198 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -60.88 -51.13 70.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.612 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -45.73 93.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.304 -179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -67.23 -39.52 86.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.064 -174.805 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 1.2 p-80 -81.82 -23.89 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.284 -0.566 . . . . 0.0 111.164 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -75.83 -37.31 59.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.646 0.26 . . . . 0.0 110.934 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.4 p -68.41 -24.41 64.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.988 0.423 . . . . 0.0 110.796 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 99.13 16.83 29.07 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.168 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.432 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 1.9 m-30 -95.91 3.59 53.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.921 0.391 . . . . 0.0 110.897 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.58 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 2.7 t80 -61.3 -42.4 98.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.697 176.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 812' ' ' ALA . . . . . 0.591 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -59.45 -43.24 93.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.992 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -43.0 83.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.183 0.516 . . . . 0.0 110.359 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.824 ' HE1' HG22 ' A' ' 886' ' ' VAL . 1.4 t80 -62.0 -43.78 98.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.327 -177.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 24.8 m -80.26 -22.65 11.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.708 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 816' ' ' ASP . . . . . 0.591 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 2.8 t0 -84.94 -44.85 12.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.271 0.558 . . . . 0.0 111.608 -176.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 54.5 m -88.22 -56.78 3.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.712 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.712 HG11 HG21 ' A' ' 886' ' ' VAL . 22.1 t -56.99 -57.17 26.36 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -166.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.645 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 44.0 Cg_exo -57.01 -32.33 92.78 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.191 1.927 . . . . 0.0 113.293 -176.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -74.86 -39.62 61.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.077 0.465 . . . . 0.0 109.896 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -37.95 78.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.859 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 818' ' ' VAL . 6.3 m -71.52 -32.16 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.421 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -62.46 -44.94 95.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.079 0.466 . . . . 0.0 109.786 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -60.38 -45.82 92.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.246 175.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.7 mt -55.49 -47.46 76.13 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.739 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -46.87 86.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.323 0.582 . . . . 0.0 111.075 177.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 86.2 m -65.61 -45.1 84.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.472 -174.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.427 ' HG3' ' HB3' ' A' ' 833' ' ' ASP . 0.0 OUTLIER -77.73 -24.24 49.15 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.416 -178.242 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.6 91.53 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.98 95.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.926 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 831' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -78.92 -11.19 59.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.05 179.028 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 65.12 36.27 7.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.427 ' HB3' ' HG3' ' A' ' 828' ' ' GLU . 10.2 t0 -81.47 74.27 8.47 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.504 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 70.7 m-85 -58.72 -32.18 68.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.231 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.38 94.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.252 0.548 . . . . 0.0 109.772 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.97 58.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.828 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.4 OUTLIER -57.54 -49.83 75.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.242 177.329 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 838' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 842' ' ' HIS . . . -62.94 -40.93 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.94 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -64.18 -45.43 88.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.395 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.2 m -67.87 -42.98 80.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.205 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.0 86.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 0.0 110.643 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 842' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 838' ' ' ALA . 7.4 t60 -60.45 -47.18 87.23 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.199 175.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 843' ' ' ARG . 0.5 OUTLIER -63.07 -42.1 99.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.641 178.632 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.488 ' HB3' ' SG ' ' A' ' 860' ' ' CYS . 5.3 mt -64.51 -41.56 96.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.671 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -40.05 92.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.081 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.85 -43.82 81.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.802 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.537 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 9.1 p -73.48 -35.99 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.788 0.294 . . . . 0.0 111.405 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -67.38 -40.56 85.71 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -63.35 -33.99 76.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.489 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 8.5 tpt -64.35 -45.52 87.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.536 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 11.0 mt -71.86 -12.75 61.43 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.554 177.267 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 852' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.4 m-80 76.93 24.85 0.87 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.327 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.68 86.08 7.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.361 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.733 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 3.3 t -52.01 -57.92 13.22 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.75 -175.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.733 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 32.2 Cg_exo -60.38 -35.23 91.87 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.941 1.761 . . . . 0.0 112.411 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 856' ' ' GLY . . . . . 0.416 ' HA2' HD12 ' A' ' 859' ' ' LEU . . . -65.89 -47.2 76.9 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.539 177.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -62.52 -39.09 92.42 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -44.18 77.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.674 177.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.416 HD12 ' HA2' ' A' ' 856' ' ' GLY . 13.9 mt -61.88 -48.41 80.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.63 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 55.5 m -62.11 -41.51 98.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.014 -178.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.92 -47.35 86.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.178 0.513 . . . . 0.0 110.295 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 862' ' ' THR . . . . . 0.43 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 8.5 m -64.97 -36.06 83.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.796 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.814 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -59.46 -53.66 55.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 864' ' ' GLU . . . . . 0.692 ' HA ' HD12 ' A' ' 867' ' ' ILE . 7.1 pt-20 -65.09 -32.34 74.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.54 -178.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.21 -43.56 97.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.79 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 866' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 862' ' ' THR . 78.0 mt -64.67 -31.46 72.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.401 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 864' ' ' GLU . 15.8 mt -74.05 -42.29 52.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.338 0.59 . . . . 0.0 109.549 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.514 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -61.4 -35.19 76.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.545 177.473 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.514 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 11.7 mm-40 -89.58 2.91 54.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.721 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.89 43.27 30.22 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.083 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -85.94 72.82 10.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.655 ' HA ' HD12 ' A' ' 875' ' ' ILE . 2.4 t -48.01 -57.03 11.29 Favored Pre-proline 0 N--CA 1.467 0.378 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -173.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 13.0 Cg_endo -56.47 -40.07 87.02 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.065 1.843 . . . . 0.0 112.001 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.55 -35.47 86.57 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.106 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' A' ' 872' ' ' VAL . 61.5 mt -60.19 -55.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 876' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 872' ' ' VAL . 0.0 OUTLIER -59.59 -41.37 90.11 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.377 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -59.3 -48.96 79.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.061 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.814 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.5 OUTLIER -69.76 -33.48 72.48 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.406 -177.702 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.55 -41.17 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 9.6 m -65.43 -32.12 73.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.839 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 881' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 885' ' ' TYR . 0.4 OUTLIER -68.58 -38.65 80.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.816 -179.725 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 60.9 mt -70.71 -34.07 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.232 0.539 . . . . 0.0 109.87 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.86 -45.34 64.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.607 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 6.8 p -62.83 -39.78 95.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.042 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 885' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 0.5 OUTLIER -60.74 -57.43 12.7 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.223 1.011 . . . . 0.0 109.889 -179.663 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.824 HG22 ' HE1' ' A' ' 814' ' ' PHE . 1.6 t -60.26 -36.45 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 CA-C-N 113.515 -1.675 . . . . 0.0 110.717 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -47.7 83.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.442 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.41 69.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 111.148 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.31 -16.24 38.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.074 -177.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 13.4 mt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.189 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -74.48 -38.94 62.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.31 0.576 . . . . 0.0 110.285 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.72 -46.87 83.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.24 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.712 HD11 ' HB2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -66.99 -28.96 68.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.472 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.571 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 7.3 t-160 -66.88 -39.66 87.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.541 175.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -81.4 -36.58 29.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.88 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 808' ' ' SER . . . . . 0.447 ' OG ' ' HA ' ' A' ' 805' ' ' LEU . 29.3 p -65.08 -25.88 67.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.064 0.459 . . . . 0.0 111.009 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 98.0 7.52 56.25 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.615 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.442 ' HB3' HD22 ' A' ' 851' ' ' LEU . 4.4 m-30 -84.04 -9.5 58.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 0.0 110.281 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.571 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 19.5 t80 -55.8 -39.48 71.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.903 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.15 -36.58 77.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.195 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 813' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' A' ' 813' ' ' LEU . 3.5 mt -77.86 -38.74 45.34 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.712 ' HB2' HD11 ' A' ' 805' ' ' LEU . 30.8 t80 -56.86 -49.3 75.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.403 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 22.0 m -78.54 -3.99 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.744 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -97.34 -49.74 4.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.6 p -76.18 -60.57 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.736 -174.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.802 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 21.3 t -58.16 -60.62 9.55 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -170.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.802 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 54.4 Cg_exo -53.11 -48.82 20.05 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.333 2.022 . . . . 0.0 112.969 -177.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.536 ' HA ' ' HD2' ' A' ' 823' ' ' LYS . 32.1 t70 -64.1 -45.49 88.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.991 -178.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 821' ' ' ASP . . . . . 0.559 ' HA ' ' HB2' ' A' ' 824' ' ' ARG . 3.9 m-20 -72.1 -19.94 61.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.871 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 3.0 t -68.43 -47.75 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 173.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 823' ' ' LYS . . . . . 0.536 ' HD2' ' HA ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -63.52 -37.75 88.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.21 0.528 . . . . 0.0 109.709 174.845 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.706 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 13.5 mtm105 -61.03 -48.94 79.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.724 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.404 ' HG ' HG21 ' A' ' 840' ' ' THR . 7.0 mt -51.34 -47.02 62.85 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.387 0.429 . . . . 0.0 110.574 176.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.469 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 13.6 m-85 -51.97 -45.71 64.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.376 0.608 . . . . 0.0 110.044 174.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 16.3 m -68.55 -46.12 70.34 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.429 -176.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.706 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 0.0 OUTLIER -70.82 -33.97 71.23 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.596 -179.328 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.77 90.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.705 0.288 . . . . 0.0 110.636 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.89 71.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.631 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 23.0 m -84.52 -13.33 52.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.693 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 63.48 31.63 14.79 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.554 0.692 . . . . 0.0 110.403 -178.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -87.43 75.88 9.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.338 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.581 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 44.8 m-85 -63.09 -24.47 67.92 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.87 -177.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.57 97.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.295 0.569 . . . . 0.0 109.632 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -73.7 -37.99 65.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.637 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 828' ' ' GLU . 1.2 tp -55.67 -47.51 76.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.533 175.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.97 97.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.007 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -63.2 -43.61 97.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 840' ' ' THR . . . . . 0.404 HG21 ' HG ' ' A' ' 825' ' ' LEU . 96.5 m -64.69 -45.71 85.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -59.67 -40.08 86.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.823 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -65.91 -42.89 89.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.725 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -62.75 -45.33 93.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.599 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 818' ' ' VAL . 8.5 mt -69.14 -39.97 78.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.443 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -56.3 -45.15 80.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.304 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.85 -38.08 84.69 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.058 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.577 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 4.8 t -61.99 -51.26 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.625 0.25 . . . . 0.0 110.803 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -59.82 -47.63 84.94 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.89 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 111.384 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -35.72 75.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.702 ' HB2' ' HG ' ' A' ' 853' ' ' LEU . 9.1 mt -81.4 -9.67 59.68 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 79.49 21.65 0.59 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.291 0.995 . . . . 0.0 109.758 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.702 ' HG ' ' HB2' ' A' ' 851' ' ' LEU . 13.8 mt -83.84 70.02 10.33 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.978 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.656 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 46.4 t -53.26 -53.01 60.8 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.838 -174.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.656 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 54.0 Cg_exo -54.33 -37.92 88.79 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.057 1.838 . . . . 0.0 112.313 177.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.26 -44.61 85.42 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.764 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -38.59 89.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -44.25 81.13 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.305 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.784 ' HB3' ' HE1' ' A' ' 878' ' ' TYR . 13.2 mt -60.18 -46.14 90.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.359 176.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 83.2 m -64.0 -30.84 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.323 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -60.64 -50.34 73.91 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -39.21 85.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.981 176.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.778 ' HG ' ' CD2' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -62.13 -49.03 77.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.994 179.518 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.95 -38.79 70.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.384 0.611 . . . . 0.0 110.062 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 865' ' ' HIS . . . . . 0.494 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 37.6 t60 -67.3 -42.27 83.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.667 176.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 866' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 863' ' ' LEU . 19.9 mt -62.36 -36.03 80.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.744 0.307 . . . . 0.0 110.662 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.584 HD11 HD13 ' A' ' 863' ' ' LEU . 17.7 mt -72.09 -38.31 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.312 178.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.608 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.79 -28.32 67.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.73 178.6 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.608 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 1.5 mm-40 -98.0 -0.82 43.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.63 -178.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? 54.72 46.68 24.13 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.28 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -92.32 83.8 5.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.775 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.763 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 21.8 t -51.5 -56.37 21.31 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.479 -176.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.763 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.1 Cg_exo -54.85 -41.83 74.61 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.46 2.107 . . . . 0.0 112.377 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 874' ' ' GLY . . . . . 0.52 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -62.41 -39.58 97.96 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.077 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.602 ' O ' HG13 ' A' ' 879' ' ' ILE . 61.6 mt -66.17 -53.53 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.385 0.136 . . . . 0.0 111.221 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 876' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 1.5 pt-20 -63.11 -42.22 99.52 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.752 0.311 . . . . 0.0 110.986 -176.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -40.25 84.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.807 176.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.784 ' HE1' ' HB3' ' A' ' 859' ' ' LEU . 51.1 t80 -60.54 -43.9 96.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.969 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.602 HG13 ' O ' ' A' ' 875' ' ' ILE . 6.8 mt -61.15 -41.06 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.903 -178.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -35.4 80.59 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.579 176.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.95 -33.12 51.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.717 -176.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 882' ' ' ILE . . . . . 0.498 HG22 ' HA ' ' A' ' 879' ' ' ILE . 12.6 tt -74.81 -31.39 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.814 0.34 . . . . 0.0 110.208 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.56 -44.52 74.29 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.1 p -66.94 -35.39 79.88 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.719 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 885' ' ' TYR . . . . . 0.431 ' OH ' ' HB2' ' A' ' 855' ' ' PRO . 24.0 t80 -57.52 -58.57 7.72 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.041 0.924 . . . . 0.0 110.731 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.628 HG23 ' CZ ' ' A' ' 814' ' ' PHE . 7.3 p -67.81 -31.29 51.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 114.11 -1.405 . . . . 0.0 110.765 -174.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 887' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 890' ' ' LEU . 12.5 mtmt -72.05 -28.85 63.62 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.2 p -84.36 -25.17 29.35 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.328 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.3 -25.43 42.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.058 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 887' ' ' LYS . 47.7 mt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.299 -0.857 . . . . 0.0 110.925 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -71.5 -51.4 23.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.186 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -67.26 -37.7 83.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.67 0.271 . . . . 0.0 110.625 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 1.6 tp -63.06 -38.59 91.78 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.083 0.468 . . . . 0.0 109.97 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.603 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 3.0 t-160 -68.43 -53.51 23.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.731 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.06 95.78 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 21.5 m -75.84 3.52 9.85 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.521 -178.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 79.63 -6.68 57.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.119 -0.563 . . . . 0.0 113.766 172.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.437 ' HD2' HD23 ' A' ' 851' ' ' LEU . 0.3 OUTLIER -78.53 1.17 23.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.29 0.566 . . . . 0.0 110.923 -177.156 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.603 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 8.8 t80 -59.96 -27.34 66.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.687 170.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.88 80.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.521 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -33.84 71.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.468 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.506 ' CZ ' HG23 ' A' ' 886' ' ' VAL . 2.2 t80 -58.57 -43.85 89.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.819 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 7.0 m -98.0 12.6 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.046 0.451 . . . . 0.0 111.023 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -90.47 -61.69 1.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.939 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 817' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 821' ' ' ASP . 0.3 OUTLIER -112.57 -30.87 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.399 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.78 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 80.8 t -53.11 -58.82 10.86 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -172.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.78 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 17.1 Cg_exo -67.4 -41.84 8.33 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 121.898 1.732 . . . . 0.0 112.251 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.12 -43.03 93.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.101 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 821' ' ' ASP . . . . . 0.462 ' HA ' ' HB2' ' A' ' 824' ' ' ARG . 1.6 m-20 -76.83 -28.08 55.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.2 t -65.12 -38.19 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 173.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -67.68 -36.04 79.94 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.705 174.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.462 ' HB2' ' HA ' ' A' ' 821' ' ' ASP . 26.8 mtm-85 -61.12 -45.93 92.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.988 175.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.818 HD23 ' HG ' ' A' ' 837' ' ' LEU . 0.5 OUTLIER -54.2 -44.97 72.06 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.279 175.739 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -62.3 -40.51 96.52 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.1 m -68.38 -41.24 80.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.271 0.558 . . . . 0.0 110.259 -175.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -79.69 -24.67 41.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.217 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.45 75.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.917 0.389 . . . . 0.0 110.038 174.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.25 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.311 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -18.49 48.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.114 177.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 11.1 m 67.91 31.72 5.53 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.917 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -83.72 74.73 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.229 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.785 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 28.3 m-85 -69.25 -15.18 63.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.474 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -69.6 -43.4 72.86 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -71.96 -36.5 69.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.528 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.818 ' HG ' HD23 ' A' ' 825' ' ' LEU . 0.3 OUTLIER -57.66 -46.16 84.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.475 175.526 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.3 95.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.798 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.01 -45.27 93.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 111.165 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.2 m -64.93 -42.48 94.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.948 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.18 -31.76 73.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.613 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -61.8 -46.3 90.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.054 175.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -63.42 -42.18 98.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.402 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.407 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.4 OUTLIER -63.69 -44.19 94.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.75 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -39.23 80.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -65.36 -46.98 84.06 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.766 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 850' ' ' MET . 8.4 m -70.81 -37.42 68.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.878 0.339 . . . . 0.0 111.571 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.33 -40.4 81.64 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -67.1 -32.48 73.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.282 174.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 850' ' ' MET . . . . . 0.473 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 6.7 ttt -56.35 -51.01 69.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.796 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.437 HD23 ' HD2' ' A' ' 810' ' ' TYR . 0.1 OUTLIER -85.38 -7.79 58.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.65 178.014 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.26 37.08 11.37 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.054 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.458 HD13 ' HE2' ' A' ' 885' ' ' TYR . 3.8 mt -76.67 82.69 3.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.274 176.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.773 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 2.4 t -44.33 -61.71 1.94 Allowed Pre-proline 0 N--CA 1.469 0.51 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -170.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.773 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 47.8 Cg_exo -56.36 -39.73 89.35 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.811 1.674 . . . . 0.0 112.282 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -71.73 -40.1 59.0 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.203 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -32.94 73.32 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -68.48 -38.6 81.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.029 175.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.46 -42.85 97.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.185 175.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 58.8 m -67.32 -39.25 85.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -55.33 -53.43 56.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.416 0.627 . . . . 0.0 110.023 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -31.04 71.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.128 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.2 OUTLIER -61.54 -52.02 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.6 0.238 . . . . 0.0 110.446 177.309 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.65 -35.7 76.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.054 0.454 . . . . 0.0 110.362 178.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 865' ' ' HIS . . . . . 0.518 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 12.5 t60 -67.59 -36.1 80.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.848 176.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 866' ' ' LEU . . . . . 0.542 HD22 ' HA3' ' A' ' 874' ' ' GLY . 12.9 mt -75.26 -33.35 61.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.646 0.26 . . . . 0.0 110.538 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.493 ' HA ' HD11 ' A' ' 875' ' ' ILE . 71.3 mt -71.17 -37.52 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.077 0.465 . . . . 0.0 110.067 175.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -67.63 -35.65 79.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.281 178.077 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 9.5 mm-40 -85.79 -3.51 58.92 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt 54.89 55.11 8.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.017 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -113.1 89.11 3.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.227 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.644 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 26.4 t -55.08 -52.68 69.12 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -175.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.644 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 77.7 Cg_exo -52.1 -43.74 50.72 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.219 1.946 . . . . 0.0 112.61 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 874' ' ' GLY . . . . . 0.542 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -65.93 -44.99 90.72 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.68 -0.772 . . . . 0.0 111.601 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.531 ' O ' HG13 ' A' ' 879' ' ' ILE . 60.3 mt -57.48 -49.93 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 110.454 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.51 -54.25 43.52 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.059 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -41.3 86.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.201 -177.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -73.35 -32.83 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.736 -175.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 875' ' ' ILE . 75.2 mt -64.29 -39.86 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.798 174.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -29.28 66.78 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.418 177.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.65 -35.96 73.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.536 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.51 -33.49 57.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.171 0.51 . . . . 0.0 110.017 173.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 883' ' ' ASP . . . . . 0.432 ' O ' HG12 ' A' ' 886' ' ' VAL . 3.5 t70 -71.77 -42.06 67.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.613 0.72 . . . . 0.0 109.508 -178.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.9 p -70.26 -29.95 66.86 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.984 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 885' ' ' TYR . . . . . 0.458 ' HE2' HD13 ' A' ' 853' ' ' LEU . 17.4 t80 -59.28 -57.55 12.54 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.913 0.863 . . . . 0.0 110.316 176.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.506 HG23 ' CZ ' ' A' ' 814' ' ' PHE . 4.2 p -64.69 -31.35 53.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.669 -177.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -26.97 61.12 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.642 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 2.5 p -89.73 -24.06 21.64 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 889' ' ' LEU . . . . . 0.431 ' HB3' ' HE2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -83.06 -21.5 33.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.351 177.079 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.51 ' HA ' ' OH ' ' A' ' 811' ' ' TYR . 14.6 mt . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.134 171.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 802' ' ' ASN . . . . . 0.658 ' HA ' HD23 ' A' ' 805' ' ' LEU . 12.8 t30 . . . . . 0 N--CA 1.465 0.29 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.2 84.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.729 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 804' ' ' GLN . . . . . 0.408 HE21 ' HB3' ' A' ' 804' ' ' GLN . 0.2 OUTLIER -64.27 -46.62 82.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.374 178.111 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -65.94 -31.15 71.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.241 179.676 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.79 -50.71 67.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.428 175.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.22 68.97 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.375 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 51.0 m -67.4 -18.01 64.95 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 85.76 -14.07 53.65 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.931 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.97 25.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.966 0.412 . . . . 0.0 111.406 -176.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -70.34 -32.51 70.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.174 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.93 95.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.171 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.75 -41.89 91.59 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.281 176.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.586 ' CZ ' HG23 ' A' ' 886' ' ' VAL . 25.9 t80 -56.53 -52.91 62.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.3 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 815' ' ' VAL . . . . . 0.629 HG12 HD22 ' A' ' 890' ' ' LEU . 34.8 m -79.16 -2.29 5.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.757 0.313 . . . . 0.0 111.601 -177.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -95.02 -64.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.274 -177.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.79 -29.68 19.58 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -171.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.655 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 49.7 t -60.06 -54.94 50.36 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.655 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 45.2 Cg_exo -57.94 -40.49 77.53 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.986 1.79 . . . . 0.0 112.489 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -73.31 -43.65 60.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.23 -176.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -32.13 72.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.747 0.308 . . . . 0.0 110.471 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -39.77 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 174.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 823' ' ' LYS . . . . . 0.479 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.0 OUTLIER -68.34 -35.36 77.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.065 175.849 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -60.8 -46.47 90.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.966 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.37 -44.56 72.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.265 175.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.479 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 11.9 m-85 -57.6 -45.33 85.44 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.365 0.602 . . . . 0.0 110.25 175.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 8.0 m -65.28 -45.53 84.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.967 -176.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.23 -32.25 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.253 -176.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.92 91.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 110.648 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.12 -23.08 67.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.797 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.6 2.0 27.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.325 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.3 m 59.5 38.27 22.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.324 0.583 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -85.72 71.31 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.633 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 65.6 m-85 -65.06 -24.11 67.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.039 -175.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.45 94.78 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.198 0.523 . . . . 0.0 109.675 173.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -74.26 -33.33 63.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.426 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.633 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 1.0 OUTLIER -61.3 -38.83 88.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.411 175.451 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.45 96.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.058 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -62.36 -47.47 84.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.873 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -35.54 78.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.666 0.27 . . . . 0.0 111.217 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.69 96.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.665 0.269 . . . . 0.0 110.483 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.28 -43.93 84.98 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.453 ' O ' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -54.42 -51.22 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.921 177.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 844' ' ' LEU . 1.3 mt -72.46 -41.58 65.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.035 -176.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -60.78 -40.47 92.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.26 -48.46 58.49 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.86 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.539 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 16.8 m -68.34 -38.77 79.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 CA-C-N 117.146 0.473 . . . . 0.0 111.502 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -64.76 -43.03 94.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.911 -0.404 . . . . 0.0 109.911 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.71 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.102 0.477 . . . . 0.0 110.191 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 850' ' ' MET . . . . . 0.403 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -63.22 -41.59 99.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.776 177.303 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 4.9 mt -80.05 -10.15 59.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.801 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 77.13 23.59 0.91 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.029 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.505 HD13 ' HE2' ' A' ' 885' ' ' TYR . 12.0 mt -81.42 84.62 6.63 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.697 178.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.759 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 18.8 t -55.77 -58.56 15.19 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.818 -174.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.759 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 35.9 Cg_exo -60.19 -39.81 65.38 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.116 1.877 . . . . 0.0 112.03 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 856' ' ' GLY . . . . . 0.484 ' HA2' HD12 ' A' ' 859' ' ' LEU . . . -64.79 -45.04 93.86 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.148 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 857' ' ' LYS . . . . . 0.532 ' HE3' ' HA ' ' A' ' 854' ' ' VAL . 0.0 OUTLIER -62.69 -35.62 80.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.852 0.358 . . . . 0.0 110.075 177.828 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -37.08 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.554 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.484 HD12 ' HA2' ' A' ' 856' ' ' GLY . 43.7 mt -62.73 -45.91 90.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.104 176.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 20.4 m -64.53 -36.32 83.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 178.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.87 -51.47 69.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.194 0.521 . . . . 0.0 110.791 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 862' ' ' THR . . . . . 0.534 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.3 m -68.99 -28.77 66.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.805 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -62.06 -49.14 77.17 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 173.197 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -43.98 63.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.438 174.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 865' ' ' HIS . . . . . 0.693 ' O ' ' HG2' ' A' ' 869' ' ' GLU . 20.3 t60 -62.13 -48.18 81.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.034 177.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.02 -28.11 69.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.772 0.32 . . . . 0.0 111.122 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.537 ' HA ' HD11 ' A' ' 875' ' ' ILE . 38.7 mt -76.2 -35.88 29.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -66.7 -34.28 77.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.314 176.726 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.693 ' HG2' ' O ' ' A' ' 865' ' ' HIS . 30.9 mm-40 -83.23 -8.29 59.49 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.812 0.339 . . . . 0.0 110.488 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt 61.59 40.48 13.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -96.48 81.32 3.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.966 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' A' ' 875' ' ' ILE . 2.2 t -49.55 -52.59 48.96 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.616 -177.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 10.9 Cg_endo -54.76 -42.96 63.7 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.348 2.032 . . . . 0.0 112.592 178.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.63 90.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.869 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 867' ' ' ILE . 56.5 mt -56.99 -49.96 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.25 -45.95 79.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.062 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.47 -40.89 92.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.845 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.624 ' HA ' ' HB2' ' A' ' 881' ' ' ASP . 1.5 m-85 -75.68 -32.03 59.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.812 -176.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 875' ' ' ILE . 44.5 mt -61.21 -43.04 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 172.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 51.5 m -67.02 -28.67 68.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.682 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 881' ' ' ASP . . . . . 0.624 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -69.45 -36.89 77.04 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.278 0.561 . . . . 0.0 110.363 176.835 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 34.5 mt -69.47 -32.9 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.286 0.565 . . . . 0.0 109.789 173.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 883' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 10.4 t0 -72.15 -42.77 65.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.35 -178.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.0 p -65.4 -38.28 89.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.102 178.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 885' ' ' TYR . . . . . 0.505 ' HE2' HD13 ' A' ' 853' ' ' LEU . 28.8 t80 -49.34 -57.74 6.34 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.961 0.886 . . . . 0.0 110.359 172.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.599 HG22 HD21 ' A' ' 890' ' ' LEU . 1.4 p -68.56 -30.45 47.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.355 -1.293 . . . . 0.0 111.393 -176.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 887' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 7.4 mmtm -56.21 -48.45 76.41 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.561 0.219 . . . . 0.0 110.966 174.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -25.65 48.04 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -178.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -46.28 67.61 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.504 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.629 HD22 HG12 ' A' ' 815' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.499 176.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 802' ' ' ASN . . . . . 0.631 ' HB3' ' HG ' ' A' ' 889' ' ' LEU . 2.7 p-10 . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.905 0.384 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -64.25 -48.76 74.53 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.887 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.54 -44.58 95.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.525 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -59.13 -49.99 75.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.225 -177.251 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 2.8 p-80 -80.37 -15.91 55.74 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.126 -177.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -85.88 -20.14 29.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.61 0.243 . . . . 0.0 111.4 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 2.1 p -88.8 -1.11 57.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.995 0.426 . . . . 0.0 110.52 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 80.97 31.05 36.35 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.265 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -107.45 5.68 27.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 0.0 110.681 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.437 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.5 t80 -66.94 -35.29 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.262 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.92 -31.82 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.177 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.62 -36.16 22.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.858 0.361 . . . . 0.0 110.101 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.749 ' HB2' HD11 ' A' ' 805' ' ' LEU . 49.5 t80 -53.61 -48.59 69.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.561 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 815' ' ' VAL . . . . . 0.411 HG12 HD21 ' A' ' 890' ' ' LEU . 28.7 m -99.43 24.76 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.214 0.531 . . . . 0.0 111.762 -176.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -130.03 -65.73 0.81 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.211 0.529 . . . . 0.0 110.841 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.9 m -83.07 -34.2 26.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.057 -174.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.709 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 88.8 t -65.31 -57.13 15.91 Favored Pre-proline 0 CA--C 1.534 0.346 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -173.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.709 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 50.4 Cg_exo -55.24 -38.82 93.42 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.214 1.943 . . . . 0.0 112.989 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -77.84 -36.89 49.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.531 -176.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.99 -31.48 72.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.131 0.491 . . . . 0.0 109.7 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.485 HG22 HD11 ' A' ' 844' ' ' LEU . 53.0 t -66.59 -42.0 89.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.939 172.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 823' ' ' LYS . . . . . 0.539 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 18.0 mtmm -62.18 -37.86 86.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.43 176.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.671 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.3 mtp85 -60.42 -42.99 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.08 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.401 ' HG ' ' CG2' ' A' ' 840' ' ' THR . 8.6 mt -54.47 -44.58 72.71 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 110.28 174.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.539 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 19.7 m-85 -57.68 -42.88 84.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.343 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 3.8 m -64.32 -45.72 86.67 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.261 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 20.1 mm-40 -67.06 -38.86 86.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.523 -178.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.0 93.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.26 96.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.019 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.9 4.09 35.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.546 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.67 25.0 14.99 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.135 0.493 . . . . 0.0 111.246 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -88.74 70.13 8.73 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.646 ' HA ' ' HB3' ' A' ' 837' ' ' LEU . 16.1 m-85 -63.03 -23.12 67.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.146 -173.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.7 -46.11 91.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.333 0.587 . . . . 0.0 109.724 174.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -79.82 -32.93 40.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.651 -177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.646 ' HB3' ' HA ' ' A' ' 834' ' ' PHE . 11.4 tp -58.81 -46.97 86.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.196 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 838' ' ' ALA . . . . . 0.736 ' HA ' HD13 ' A' ' 867' ' ' ILE . . . -63.87 -42.41 97.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.696 177.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -61.47 -41.61 97.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.469 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 840' ' ' THR . . . . . 0.401 ' CG2' ' HG ' ' A' ' 825' ' ' LEU . 5.1 m -68.5 -37.59 80.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.696 0.284 . . . . 0.0 110.937 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.88 82.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.932 0.396 . . . . 0.0 110.4 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 842' ' ' HIS . . . . . 0.55 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 2.9 m170 -59.04 -46.44 88.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.849 175.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 847' ' ' VAL . 5.2 ttt85 -61.31 -44.79 96.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.019 178.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.485 HD11 HG22 ' A' ' 822' ' ' VAL . 0.3 OUTLIER -64.27 -44.33 92.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.518 -176.83 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -63.25 -35.95 82.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.579 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 846' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 845' ' ' LYS . . . -67.36 -50.83 41.63 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.579 178.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.62 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 7.3 m -63.86 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.766 0.283 . . . . 0.0 111.127 -177.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.456 ' HA ' HD12 ' A' ' 851' ' ' LEU . 4.9 m-30 -65.53 -37.58 87.14 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.31 -34.92 77.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.822 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 850' ' ' MET . . . . . 0.512 ' HG3' ' HA ' ' A' ' 847' ' ' VAL . 0.9 OUTLIER -61.1 -52.05 66.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.577 177.145 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -77.92 -5.36 50.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.973 -178.391 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.18 33.32 2.04 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.723 0.773 . . . . 0.0 110.233 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 4.3 mt -79.13 74.64 5.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.79 -1.096 . . . . 0.0 109.266 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.826 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 39.3 t -50.59 -60.57 5.15 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.826 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 33.3 Cg_exo -57.94 -39.82 83.13 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.821 1.68 . . . . 0.0 112.262 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.42 -46.53 69.43 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.574 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -62.21 -37.52 85.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -61.28 -40.93 95.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.79 -42.66 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.021 0.438 . . . . 0.0 110.303 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 21.6 m -66.9 -28.33 68.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.632 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.31 -48.52 67.35 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.261 177.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 862' ' ' THR . . . . . 0.539 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -65.47 -33.69 76.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.427 177.599 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -43.18 99.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 175.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 864' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 867' ' ' ILE . 0.1 OUTLIER -56.15 -44.67 79.5 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.225 0.536 . . . . 0.0 110.496 176.624 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 865' ' ' HIS . . . . . 0.482 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 59.1 t60 -68.18 -29.74 68.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.693 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 4.4 mt -69.74 -35.52 75.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.8 0.333 . . . . 0.0 110.379 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.736 HD13 ' HA ' ' A' ' 838' ' ' ALA . 24.8 mt -69.34 -41.37 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.393 176.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.484 ' HE ' ' HB2' ' A' ' 868' ' ' ARG . 0.0 OUTLIER -64.89 -32.66 74.47 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.059 0.457 . . . . 0.0 110.3 177.799 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.3 OUTLIER -81.23 -13.8 58.15 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 176.05 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 870' ' ' LYS . . . . . 0.45 ' HD2' ' O ' ' A' ' 867' ' ' ILE . 0.1 OUTLIER 58.67 38.16 25.09 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.296 -177.608 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.86 89.24 7.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.009 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.521 ' O ' ' HG2' ' A' ' 876' ' ' GLU . 2.1 t -53.19 -56.23 26.15 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.899 -172.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 14.7 Cg_endo -56.65 -36.72 98.39 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.396 2.064 . . . . 0.0 112.428 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -71.88 -40.46 57.61 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.7 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.611 HG21 HD21 ' A' ' 837' ' ' LEU . 55.2 mt -58.75 -56.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.482 0.182 . . . . 0.0 110.515 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 876' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 879' ' ' ILE . 7.9 pt-20 -62.35 -39.66 93.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.942 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -42.62 90.88 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.825 0.345 . . . . 0.0 110.646 178.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.539 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 3.7 m-85 -69.01 -32.92 72.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 875' ' ' ILE . 31.1 mt -63.5 -42.17 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.221 176.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -34.7 78.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.422 175.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -34.83 77.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.027 0.441 . . . . 0.0 110.606 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 882' ' ' ILE . . . . . 0.43 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 57.5 mt -68.63 -33.52 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.289 0.566 . . . . 0.0 110.002 174.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.5 -41.25 66.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.606 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 884' ' ' SER . . . . . 0.461 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 6.4 p -71.14 -30.37 66.4 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.111 177.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 885' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 62.3 t80 -57.78 -57.32 13.27 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.486 1.136 . . . . 0.0 109.789 174.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.423 HG22 ' CE1' ' A' ' 814' ' ' PHE . 1.0 OUTLIER -63.68 -31.8 54.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 113.3 -1.773 . . . . 0.0 110.45 -178.684 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 887' ' ' LYS . . . . . 0.497 ' HA ' HD12 ' A' ' 890' ' ' LEU . 4.6 mttp -63.04 -43.81 97.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 176.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.24 -23.14 38.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.013 -176.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 889' ' ' LEU . . . . . 0.631 ' HG ' ' HB3' ' A' ' 802' ' ' ASN . 1.6 mp -77.6 -28.03 51.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.552 177.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 887' ' ' LYS . 15.7 mt . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.811 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 802' ' ' ASN . . . . . 0.997 ' HA ' HD23 ' A' ' 805' ' ' LEU . 41.1 t30 . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 120.744 0.306 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -54.91 -51.47 65.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 804' ' ' GLN . . . . . 0.543 ' HG3' ' N ' ' A' ' 805' ' ' LEU . 0.0 OUTLIER -64.47 -42.87 95.66 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.116 -177.534 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.997 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -73.23 -38.65 65.96 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.788 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.563 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 0.1 OUTLIER -82.78 -14.48 54.36 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.789 -178.828 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -80.95 -37.7 28.99 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -26.07 63.89 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.037 0.446 . . . . 0.0 110.644 177.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 105.92 7.96 35.08 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.795 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -88.1 8.57 26.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.298 0.571 . . . . 0.0 110.937 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.552 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 27.1 t80 -63.35 -28.95 70.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.168 177.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 812' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -59.93 -44.45 94.33 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.638 177.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 813' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 813' ' ' LEU . 7.2 mt -67.98 -35.54 78.53 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.105 0.478 . . . . 0.0 110.33 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.506 ' CZ ' HG23 ' A' ' 886' ' ' VAL . 4.1 t80 -60.91 -37.51 82.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.972 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 32.9 m -100.51 15.66 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.875 0.369 . . . . 0.0 111.084 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 816' ' ' ASP . . . . . 0.539 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 0.4 OUTLIER -106.22 -79.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.859 0.361 . . . . 0.0 111.197 -178.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.0 -18.62 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.916 -174.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.668 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 84.9 t -63.0 -53.98 50.51 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -175.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.668 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 48.3 Cg_exo -57.13 -39.53 90.05 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.94 1.76 . . . . 0.0 112.076 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 824' ' ' ARG . 4.2 t70 -69.86 -40.67 75.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.862 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -38.26 90.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.378 . . . . 0.0 110.595 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 825' ' ' LEU . 87.9 t -62.23 -43.49 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.079 0.466 . . . . 0.0 109.992 174.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 823' ' ' LYS . . . . . 0.499 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.5 OUTLIER -65.56 -35.01 79.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.701 176.58 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.5 mmp_? -56.9 -47.66 80.02 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 822' ' ' VAL . 6.2 mt -53.43 -49.7 66.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.481 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.499 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 19.8 m-85 -55.66 -47.53 76.55 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.394 0.616 . . . . 0.0 110.839 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.0 m -67.16 -42.82 83.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.958 -172.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 8.8 mm-40 -79.2 -29.66 42.97 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.017 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.54 -33.28 75.54 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 120.841 0.353 . . . . 0.0 110.396 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.84 87.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.168 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.38 8.86 31.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.65 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.81 36.26 24.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.234 177.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -86.16 71.92 10.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.567 0.699 . . . . 0.0 109.496 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.493 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 77.9 m-85 -63.61 -26.08 68.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.729 -177.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.79 99.94 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.296 0.569 . . . . 0.0 110.037 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -74.23 -35.3 63.85 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.723 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.524 ' HB3' HD12 ' A' ' 867' ' ' ILE . 0.6 OUTLIER -58.61 -42.98 89.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.267 175.67 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.4 94.94 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.657 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -59.71 -44.32 93.75 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.648 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 840' ' ' THR . . . . . 0.836 ' HA ' ' HD3' ' A' ' 843' ' ' ARG . 3.7 m -66.51 -41.58 88.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.385 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.8 -31.25 72.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.027 0.441 . . . . 0.0 110.467 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 842' ' ' HIS . . . . . 0.694 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 36.6 m170 -69.55 -40.78 76.63 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.317 176.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.836 ' HD3' ' HA ' ' A' ' 840' ' ' THR . 8.8 mtp180 -57.86 -51.4 69.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.219 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.46 ' HA ' HG22 ' A' ' 847' ' ' VAL . 5.8 mt -62.16 -47.91 82.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.602 -175.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.694 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.1 OUTLIER -61.58 -34.5 75.72 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.438 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -70.77 -49.05 31.26 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.619 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.55 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 20.1 m -66.66 -33.65 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.809 0.305 . . . . 0.0 111.069 -178.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.424 ' CD2' ' HA3' ' A' ' 856' ' ' GLY . 6.3 m-85 -68.17 -43.64 77.74 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 849' ' ' ALA . . . . . 0.503 ' HB2' ' HD3' ' A' ' 857' ' ' LYS . . . -62.36 -34.54 76.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.017 0.437 . . . . 0.0 110.411 175.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 9.7 tpt -64.65 -44.4 90.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.795 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 17.9 mt -74.59 -13.45 60.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.596 177.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 852' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.0 OUTLIER 80.89 28.52 0.2 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.56 176.875 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.78 82.52 7.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.634 177.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.429 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 1.2 t -54.03 -57.2 19.05 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.396 -176.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 19.1 Cg_endo -59.05 -34.98 99.13 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.229 1.952 . . . . 0.0 112.01 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 856' ' ' GLY . . . . . 0.424 ' HA3' ' CD2' ' A' ' 848' ' ' PHE . . . -66.36 -44.05 91.36 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.846 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 857' ' ' LYS . . . . . 0.503 ' HD3' ' HB2' ' A' ' 849' ' ' ALA . 0.0 OUTLIER -63.36 -40.22 96.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.549 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 858' ' ' GLN . . . . . 0.443 ' HA ' ' OE1' ' A' ' 858' ' ' GLN . 1.1 tp-100 -56.22 -44.53 79.62 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.857 177.077 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.444 HD23 ' CE2' ' A' ' 878' ' ' TYR . 3.8 mt -61.43 -41.41 97.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.682 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 55.5 m -67.48 -31.31 71.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.26 -46.48 76.92 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.887 0.375 . . . . 0.0 110.126 177.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -36.51 83.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.466 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.665 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -59.84 -46.78 88.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.964 175.534 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.33 -43.97 79.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 110.234 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 865' ' ' HIS . . . . . 0.446 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 1.7 t-80 -59.55 -40.91 88.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.557 176.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 866' ' ' LEU . . . . . 0.464 HD22 ' HA3' ' A' ' 874' ' ' GLY . 16.8 mt -71.07 -37.83 72.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.96 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' ' 863' ' ' LEU . 10.5 mm -64.57 -45.24 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.281 0.562 . . . . 0.0 109.848 175.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.555 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.02 -32.39 74.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.132 -177.678 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.555 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 31.5 mm-40 -95.64 -2.68 47.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.745 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp 62.87 40.46 9.6 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.355 175.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -94.02 88.5 5.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.874 0.369 . . . . 0.0 110.207 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.51 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 14.6 t -50.56 -52.48 55.35 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -175.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 9.7 Cg_endo -54.24 -45.51 40.47 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.257 1.972 . . . . 0.0 112.437 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 874' ' ' GLY . . . . . 0.464 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -68.23 -38.8 88.1 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.08 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.474 HG12 HD13 ' A' ' 867' ' ' ILE . 59.8 mt -56.37 -59.55 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 122.256 0.222 . . . . 0.0 110.813 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.97 -36.39 83.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.904 -177.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -61.51 -48.93 78.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.819 0.342 . . . . 0.0 110.708 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.665 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.6 OUTLIER -73.52 -31.75 63.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.484 -176.802 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 875' ' ' ILE . 93.4 mt -59.77 -44.87 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.1 m -67.41 -28.86 68.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.697 177.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 881' ' ' ASP . . . . . 0.525 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -69.92 -35.79 74.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.044 0.45 . . . . 0.0 110.569 177.768 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 86.3 mt -70.67 -33.12 51.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.236 0.541 . . . . 0.0 109.82 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.14 -41.31 74.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.568 0.699 . . . . 0.0 109.31 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.3 p -69.96 -30.23 67.54 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.112 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -57.17 11.0 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.983 177.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.673 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 4.9 p -62.87 -33.04 58.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.505 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -56.83 -49.23 76.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.007 0.432 . . . . 0.0 111.148 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.99 -15.99 45.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.559 -176.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 889' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' A' ' 802' ' ' ASN . 0.1 OUTLIER -81.7 -39.32 24.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.903 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 30.3 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.143 -179.045 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 802' ' ' ASN . . . . . 0.633 ' HA ' HD23 ' A' ' 805' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 120.66 0.267 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.82 67.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.802 0.334 . . . . 0.0 110.542 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -63.33 -48.23 78.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.372 176.639 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -68.53 -23.79 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.304 0.573 . . . . 0.0 110.587 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.64 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 9.4 t60 -73.78 -40.63 63.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.281 174.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.46 78.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.276 -178.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -19.74 61.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.134 0.492 . . . . 0.0 110.447 176.071 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 91.99 7.56 64.13 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.381 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.473 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.4 OUTLIER -91.24 -3.43 56.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.791 0.329 . . . . 0.0 111.277 -175.519 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.64 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 1.1 t80 -63.01 -30.58 71.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.42 . . . . 0.0 110.22 176.199 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 812' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -66.57 -25.89 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.728 177.748 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.53 -38.26 24.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.736 176.575 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.421 ' CZ ' HG22 ' A' ' 886' ' ' VAL . 88.4 t80 -57.87 -49.28 77.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.974 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 29.1 m -80.38 -0.06 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 0.0 111.424 -178.469 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 816' ' ' ASP . . . . . 0.541 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 11.0 t0 -96.24 -64.27 1.07 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.411 -176.921 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.96 -32.01 15.41 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -173.155 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.705 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 90.7 t -59.93 -54.86 51.32 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.719 -173.777 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.705 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.5 Cg_exo -58.75 -32.01 96.17 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.129 1.886 . . . . 0.0 112.626 176.382 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -74.55 -44.64 50.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 110.524 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.76 -35.32 80.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.766 177.182 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.04 -43.32 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.093 174.645 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -37.8 86.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.85 175.529 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.685 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -60.36 -48.14 83.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.968 174.401 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 13.8 mt -53.4 -45.46 69.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 177.546 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -56.54 -42.81 79.13 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.468 175.648 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 25.4 m -71.65 -46.56 58.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.551 -175.064 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.685 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 4.3 mm-40 -68.5 -31.83 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.709 0.29 . . . . 0.0 110.358 -179.153 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.6 85.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.246 175.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.3 69.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 179.075 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 2.2 m -85.33 -9.11 58.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.046 179.079 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.15 32.17 17.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.615 0.722 . . . . 0.0 110.141 -178.63 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 836' ' ' ALA . 1.0 OUTLIER -95.47 77.89 3.38 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.388 178.133 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 46.6 m-85 -58.84 -29.8 67.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.839 -178.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.28 93.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.109 0.48 . . . . 0.0 109.827 175.678 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 836' ' ' ALA . . . . . 0.402 ' HB3' ' HB3' ' A' ' 833' ' ' ASP . . . -75.27 -35.38 61.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.72 179.442 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.485 ' HA ' HD12 ' A' ' 837' ' ' LEU . 1.5 tp -57.86 -49.08 77.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.301 174.371 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.69 86.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.825 178.073 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -63.94 -45.81 87.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.892 177.627 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.4 m -69.78 -33.46 72.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.78 0.324 . . . . 0.0 110.964 179.409 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.64 97.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.039 0.447 . . . . 0.0 110.047 174.584 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -63.65 -32.99 74.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.158 175.39 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -49.97 69.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.192 177.492 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.552 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.1 OUTLIER -66.91 -40.99 87.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.314 -178.814 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.425 ' HG3' ' HG3' ' A' ' 857' ' ' LYS . 29.0 ttmt -57.31 -44.06 83.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.097 175.119 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.33 69.23 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.507 -0.77 . . . . 0.0 113.298 -178.228 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.552 HG22 ' HA ' ' A' ' 844' ' ' LEU . 24.3 m -70.16 -39.1 76.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 117.313 0.556 . . . . 0.0 111.15 -178.015 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.543 ' HA ' HD12 ' A' ' 851' ' ' LEU . 3.8 m-30 -69.28 -39.37 78.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.553 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.98 -31.66 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.598 175.443 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -66.27 -45.64 79.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.363 176.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 848' ' ' PHE . 1.3 mt -75.03 -9.39 58.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 178.228 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 77.43 24.49 0.8 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.94 176.808 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 853' ' ' LEU . 6.6 mt -83.49 85.65 7.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.548 176.336 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.482 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 17.2 t -58.97 -54.99 51.02 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.653 -175.504 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 12.0 Cg_endo -55.33 -38.71 93.6 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.454 2.103 . . . . 0.0 112.275 178.249 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.49 -47.49 69.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.604 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 857' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 861' ' ' GLU . 1.7 tttp -61.86 -38.88 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 177.06 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 858' ' ' GLN . . . . . 0.477 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 37.6 mt-30 -62.36 -37.63 86.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.177 178.41 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.498 HD23 ' CE2' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -60.87 -42.24 97.5 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.65 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 14.6 m -68.0 -29.83 68.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.157 177.423 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 861' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 857' ' ' LYS . 22.6 mm-40 -62.15 -51.6 67.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 110.18 175.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 862' ' ' THR . . . . . 0.639 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.5 m -64.56 -34.08 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.77 178.527 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.481 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -61.74 -48.65 79.77 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.158 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.03 -42.02 79.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.072 0.463 . . . . 0.0 110.14 175.889 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 865' ' ' HIS . . . . . 0.747 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 2.7 t-160 -61.98 -39.51 92.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.929 177.381 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 866' ' ' LEU . . . . . 0.54 HD22 ' HA3' ' A' ' 874' ' ' GLY . 20.3 mt -68.61 -41.54 79.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 179.113 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.42 ' HA ' HD11 ' A' ' 875' ' ' ILE . 22.8 mt -67.65 -42.2 86.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.82 177.844 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.747 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -64.48 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.233 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 6.7 mm-40 -89.56 -4.29 57.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 110.308 179.373 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp 60.14 40.07 18.74 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.341 179.32 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -93.53 83.09 4.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.863 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.556 ' HA ' HD12 ' A' ' 875' ' ' ILE . 0.2 OUTLIER -48.53 -54.85 22.7 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -175.723 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 12.3 Cg_endo -55.95 -41.61 75.3 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.399 2.066 . . . . 0.0 112.602 -179.225 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 874' ' ' GLY . . . . . 0.54 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -67.44 -37.14 89.9 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.98 178.474 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.57 ' O ' HG12 ' A' ' 879' ' ' ILE . 69.7 mt -59.13 -56.81 14.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.361 0.124 . . . . 0.0 110.731 179.246 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 876' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 5.1 pt-20 -66.63 -32.15 73.29 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.916 -177.642 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -58.85 -48.87 79.84 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.031 0.443 . . . . 0.0 109.99 175.54 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.639 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.2 OUTLIER -67.31 -31.88 72.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.965 179.577 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 875' ' ' ILE . 42.5 mm -54.78 -49.13 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.585 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -32.89 74.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.268 178.317 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -72.06 -36.86 69.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.065 0.459 . . . . 0.0 110.938 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 10.1 mt -70.44 -32.81 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 173.755 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 883' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 8.7 t70 -71.57 -37.99 71.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.377 -177.782 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 884' ' ' SER . . . . . 0.4 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 3.7 p -73.29 -29.71 62.91 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.176 176.391 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.67 -56.62 12.6 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 122.193 0.997 . . . . 0.0 110.045 176.231 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.47 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 2.5 t -59.53 -32.75 49.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.713 177.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 887' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 11.0 tttt -60.64 -41.38 94.8 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.48 175.491 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -23.83 48.02 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.812 0.339 . . . . 0.0 111.06 -179.531 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 4.6 mt -78.88 -27.52 44.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.33 178.832 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 51.3 mt . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.398 177.78 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.527 0.203 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.78 85.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.913 0.387 . . . . 0.0 110.493 -179.118 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -65.27 -46.34 80.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.635 178.563 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 805' ' ' LEU . . . . . 0.532 HD21 ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -66.0 -30.24 70.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.219 0.533 . . . . 0.0 110.537 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -72.72 -44.06 62.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.64 177.229 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -68.78 -30.21 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.906 -176.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.6 p -76.97 -13.16 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.959 -179.436 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 82.38 -0.38 89.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.29 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.451 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.7 OUTLIER -84.78 4.76 31.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.963 0.411 . . . . 0.0 110.906 -177.48 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.532 ' HD1' HD21 ' A' ' 805' ' ' LEU . 46.4 t80 -57.85 -31.9 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.457 176.366 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.68 91.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.104 178.842 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.29 -34.56 78.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.641 -178.338 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.462 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 3.4 t80 -60.63 -42.7 97.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.856 -176.418 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 815' ' ' VAL . . . . . 0.406 HG13 HD21 ' A' ' 890' ' ' LEU . 0.0 OUTLIER -103.2 13.68 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.035 0.445 . . . . 0.0 111.475 -177.609 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -112.16 -74.0 0.65 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.253 179.23 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 817' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 821' ' ' ASP . 1.5 t -85.55 -23.41 27.68 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -174.048 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.78 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 97.3 t -66.14 -57.93 11.98 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.715 -175.229 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.78 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 26.0 Cg_exo -63.4 -37.2 50.79 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 121.839 1.692 . . . . 0.0 111.856 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.83 -33.04 65.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -177.839 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 821' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 817' ' ' THR . 0.4 OUTLIER -66.42 -39.21 88.83 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 175.869 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 15.7 t -60.29 -44.14 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.08 174.471 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -46.05 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.282 175.415 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.708 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 9.4 ttt180 -58.68 -48.18 81.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.362 177.54 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 5.7 mt -54.77 -45.27 74.22 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.935 178.185 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -33.66 75.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.434 177.768 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 29.1 m -70.37 -42.4 71.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.074 178.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.708 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 1.6 mm-40 -64.41 -36.41 84.08 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.228 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.42 97.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 178.65 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -66.31 -17.0 64.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.249 178.645 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.67 6.06 25.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.69 177.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 56.02 31.84 18.8 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.945 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -87.47 72.97 9.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.68 179.322 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.669 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 44.7 m-85 -63.54 -24.8 67.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.57 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.22 97.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.253 0.549 . . . . 0.0 109.733 174.309 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.54 -33.71 60.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.861 179.234 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.671 HD12 ' HB2' ' A' ' 828' ' ' GLU . 0.7 OUTLIER -55.97 -53.26 59.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.36 175.308 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.84 99.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.081 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -60.81 -47.23 87.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.199 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.9 m -68.19 -39.22 82.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.948 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.48 -31.31 72.31 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.192 0.52 . . . . 0.0 110.64 177.784 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -68.23 -48.35 65.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.84 174.845 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -47.4 84.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.273 178.001 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.522 ' HA ' HG23 ' A' ' 847' ' ' VAL . 0.1 OUTLIER -61.39 -38.15 86.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.768 -178.272 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.553 ' HD2' ' HG2' ' A' ' 861' ' ' GLU . 0.7 OUTLIER -54.09 -47.42 71.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.345 173.586 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -62.46 -42.1 99.73 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.283 -0.872 . . . . 0.0 112.865 -178.721 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.522 HG23 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -62.56 -50.58 79.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 CA-C-N 116.702 0.251 . . . . 0.0 110.974 -179.343 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.53 ' HD2' ' HA3' ' A' ' 856' ' ' GLY . 4.8 m-85 -65.53 -39.07 91.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.78 -176.492 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.77 87.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.615 177.102 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 850' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 847' ' ' VAL . 0.8 OUTLIER -82.28 -15.71 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.93 0.395 . . . . 0.0 110.785 178.25 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' A' ' 848' ' ' PHE . 32.3 mt -91.38 -0.74 57.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.008 176.532 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.53 15.48 4.14 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.042 174.047 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 24.4 mt -89.35 75.55 7.68 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.818 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.517 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -55.17 -55.7 36.52 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.437 -175.791 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.517 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 31.5 Cg_exo -59.66 -36.34 92.43 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.842 1.694 . . . . 0.0 112.073 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 856' ' ' GLY . . . . . 0.53 ' HA3' ' HD2' ' A' ' 848' ' ' PHE . . . -66.5 -43.49 92.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.031 176.52 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -39.41 94.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.763 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 858' ' ' GLN . . . . . 0.406 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 0.0 OUTLIER -63.62 -35.07 79.31 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.357 177.617 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.39 -42.45 99.43 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 174.679 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.422 ' HB2' ' HD3' ' A' ' 845' ' ' LYS . 25.6 m -67.25 -27.6 67.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.17 177.861 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 861' ' ' GLU . . . . . 0.553 ' HG2' ' HD2' ' A' ' 845' ' ' LYS . 15.1 mm-40 -66.72 -54.13 26.22 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.23 0.538 . . . . 0.0 109.644 175.55 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.3 m -62.33 -37.51 85.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.807 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -57.83 -51.46 69.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.759 177.085 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.41 -41.44 80.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.814 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -63.44 -38.17 90.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.021 178.237 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 7.5 mt -73.85 -27.32 61.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.882 0.372 . . . . 0.0 110.778 179.388 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.596 HG12 HD23 ' A' ' 837' ' ' LEU . 70.6 mt -74.78 -41.16 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.538 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.506 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -63.95 -37.47 87.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.307 176.872 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.506 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.4 OUTLIER -81.21 1.06 33.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 176.359 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp 53.15 48.98 21.0 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.75 175.382 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.06 87.3 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.185 178.26 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.664 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 74.8 t -51.98 -53.62 49.7 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.564 -175.468 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.664 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.8 Cg_exo -55.58 -39.88 88.54 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.953 1.769 . . . . 0.0 112.176 179.234 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.05 93.6 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.581 -0.818 . . . . 0.0 111.482 177.019 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.524 HD11 ' HA ' ' A' ' 867' ' ' ILE . 52.9 mt -58.25 -54.38 33.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.625 0.25 . . . . 0.0 110.845 178.512 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -56.66 -45.35 81.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.073 -178.018 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -40.5 95.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.292 -177.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -73.48 -32.19 64.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -178.413 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.444 ' HA ' HD12 ' A' ' 882' ' ' ILE . 89.4 mt -61.96 -46.77 95.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 0.0 110.438 176.126 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -28.95 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.211 177.303 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.32 -34.96 79.15 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.301 0.572 . . . . 0.0 110.519 174.551 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 882' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 879' ' ' ILE . 53.1 mt -68.95 -32.74 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.937 172.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.6 -43.42 66.25 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.616 -178.489 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.3 p -66.69 -32.77 74.29 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.057 177.252 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -57.42 -58.37 8.59 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 122.408 1.099 . . . . 0.0 109.793 174.53 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.438 HG22 ' CZ ' ' A' ' 814' ' ' PHE . 1.0 OUTLIER -64.05 -35.82 74.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 113.329 -1.759 . . . . 0.0 110.514 -177.529 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -55.06 -51.84 65.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.108 176.403 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -33.13 73.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.822 -178.067 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -29.84 64.23 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -177.732 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.406 HD21 HG13 ' A' ' 815' ' ' VAL . 55.5 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.871 -0.585 . . . . 0.0 111.018 178.434 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 4.1 t30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.834 0.35 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -65.67 -43.08 90.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.517 178.431 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -60.31 -45.83 92.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 178.266 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.25 -30.93 71.46 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.265 0.555 . . . . 0.0 110.743 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -78.48 -41.15 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.088 178.67 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.08 82.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.147 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 808' ' ' SER . . . . . 0.426 ' HB2' ' CD2' ' A' ' 810' ' ' TYR . 1.6 p -70.8 -33.33 70.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.994 0.426 . . . . 0.0 110.203 178.254 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 100.94 -10.33 58.6 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.466 176.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.426 ' CD2' ' HB2' ' A' ' 808' ' ' SER . 13.8 m-85 -80.48 20.73 0.68 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.107 0.48 . . . . 0.0 111.336 -175.796 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.59 -31.54 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.141 176.179 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.81 85.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.916 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -40.71 96.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.093 0.473 . . . . 0.0 110.53 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.413 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 64.8 t80 -64.91 -41.37 95.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.349 -178.17 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 815' ' ' VAL . . . . . 0.695 HG12 HD22 ' A' ' 890' ' ' LEU . 27.7 m -91.85 11.38 2.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.959 -177.622 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -112.87 -66.11 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.026 178.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.73 -34.37 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.933 -173.7 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.484 ' N ' ' HD2' ' A' ' 819' ' ' PRO . 98.2 t -60.33 -52.62 71.75 Favored Pre-proline 0 CA--C 1.537 0.452 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.425 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 818' ' ' VAL . 12.3 Cg_endo -57.24 -39.49 89.77 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 121.936 1.757 . . . . 0.0 112.561 177.601 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -73.24 -41.69 63.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.719 -178.773 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -43.72 98.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.178 179.134 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 31.7 t -61.93 -43.51 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 176.817 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -63.92 -44.47 92.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 179.041 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -62.8 -38.4 90.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.311 178.304 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.22 -45.49 79.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.956 174.499 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -59.09 -45.94 89.55 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.647 177.391 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 6.8 m -64.28 -45.45 87.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.047 -175.884 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -76.45 -25.26 54.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.326 -177.928 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.66 94.68 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.028 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.18 75.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.139 176.593 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -2.96 58.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.448 178.68 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.9 m 63.6 28.65 15.17 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.132 0.491 . . . . 0.0 110.509 -178.51 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -85.55 74.0 10.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.77 179.082 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.609 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 20.0 m-85 -64.86 -23.14 67.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.058 -177.525 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.09 -39.47 86.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.078 0.466 . . . . 0.0 110.016 175.127 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.6 -34.95 60.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.44 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.609 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 1.4 mp -57.62 -47.14 83.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.299 175.129 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.83 99.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.996 178.253 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -60.26 -46.93 88.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 111.019 178.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.3 m -68.58 -38.79 80.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.397 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.92 89.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.074 0.464 . . . . 0.0 110.271 176.66 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 842' ' ' HIS . . . . . 0.459 ' HD1' ' CD ' ' A' ' 864' ' ' GLU . 3.1 t60 -64.05 -39.42 94.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.183 175.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.497 ' O ' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -64.42 -45.07 89.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.604 177.909 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 844' ' ' LEU . 11.8 mt -64.28 -42.47 96.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.462 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.474 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 10.0 ttmt -55.54 -44.17 76.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.053 175.679 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -61.21 -50.43 67.25 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.794 -0.639 . . . . 0.0 113.201 -179.533 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 843' ' ' ARG . 0.7 OUTLIER -67.52 -39.17 81.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 117.122 0.461 . . . . 0.0 111.52 -176.858 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.24 -41.26 94.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.969 0.414 . . . . 0.0 110.077 178.502 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 849' ' ' ALA . . . . . 0.547 ' HA ' ' HE3' ' A' ' 857' ' ' LYS . . . -66.71 -36.02 81.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.787 176.442 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.5 ttt -65.83 -42.77 90.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.073 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 11.4 mt -84.61 -10.16 57.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.409 177.796 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 62.12 42.28 9.92 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.973 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.577 HD22 ' HE2' ' A' ' 885' ' ' TYR . 0.7 OUTLIER -82.05 82.81 7.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.714 174.919 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.788 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 2.4 t -45.56 -61.66 2.26 Favored Pre-proline 0 N--CA 1.471 0.612 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -169.594 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.788 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 36.9 Cg_exo -58.11 -43.1 50.74 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 121.855 1.703 . . . . 0.0 112.223 -177.804 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -68.44 -38.0 86.35 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.244 179.642 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 857' ' ' LYS . . . . . 0.66 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 0.0 OUTLIER -67.88 -36.87 81.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.257 178.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -64.66 -36.49 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.156 0.503 . . . . 0.0 109.771 175.158 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.0 -48.36 79.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.179 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.66 ' SG ' ' HA ' ' A' ' 857' ' ' LYS . 0.8 OUTLIER -72.12 -25.85 61.89 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.831 -178.65 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.0 -53.91 51.43 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.221 0.534 . . . . 0.0 110.028 174.58 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 862' ' ' THR . . . . . 0.45 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -66.99 -34.36 77.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.639 178.405 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.591 ' O ' HG12 ' A' ' 867' ' ' ILE . 0.0 OUTLIER -58.64 -50.17 74.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.327 175.766 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 864' ' ' GLU . . . . . 0.459 ' CD ' ' HD1' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -56.37 -41.61 76.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.133 0.492 . . . . 0.0 110.733 179.004 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.93 -39.47 90.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.68 177.171 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 70.1 mt -69.47 -30.1 67.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.476 0.179 . . . . 0.0 110.685 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 863' ' ' LEU . 14.6 mm -68.33 -42.82 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 175.85 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.486 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.22 -34.8 78.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.727 179.482 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.486 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 38.3 mm-40 -87.04 -8.85 56.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.985 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.28 42.07 18.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.228 -178.538 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -84.73 84.49 7.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.872 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.475 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.2 t -50.03 -55.06 26.88 Favored Pre-proline 0 CA--C 1.537 0.443 0 O-C-N 123.574 0.546 . . . . 0.0 112.326 -175.392 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.4 Cg_endo -56.52 -43.83 51.57 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.153 1.902 . . . . 0.0 112.402 178.013 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -64.68 -42.89 97.04 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.802 177.636 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.477 HG12 HD13 ' A' ' 867' ' ' ILE . 54.8 mt -58.16 -50.78 77.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 177.058 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.6 -48.65 76.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.458 178.688 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -61.03 -49.51 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.275 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.45 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 8.7 m-85 -72.31 -33.98 67.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -174.931 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 16.0 mt -61.95 -43.37 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.003 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 6.2 m -67.98 -31.73 71.65 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.758 177.292 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 881' ' ' ASP . . . . . 0.439 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.7 OUTLIER -70.42 -38.57 74.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.021 0.439 . . . . 0.0 110.741 179.774 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 76.9 mt -69.11 -36.16 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.374 0.607 . . . . 0.0 109.875 174.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 883' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 9.7 t70 -72.47 -42.66 64.69 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.327 -178.008 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 884' ' ' SER . . . . . 0.622 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 17.6 p -64.73 -28.4 69.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.271 176.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 885' ' ' TYR . . . . . 0.577 ' HE2' HD22 ' A' ' 853' ' ' LEU . 8.0 t80 -56.07 -53.33 58.35 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 171.234 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.48 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.8 m -64.7 -31.52 54.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.454 176.325 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 887' ' ' LYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 0.9 OUTLIER -69.71 -20.43 63.53 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.659 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -30.71 17.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.934 0.397 . . . . 0.0 110.125 174.345 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.04 -50.84 10.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.657 -178.334 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.695 HD22 HG12 ' A' ' 815' ' ' VAL . 1.1 pp . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.046 -176.338 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.318 0 CA-C-O 120.725 0.298 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -74.05 -42.87 59.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.601 -179.526 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -64.7 -37.16 86.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.349 178.103 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 2.8 tp -66.65 -33.48 75.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.277 0.56 . . . . 0.0 110.223 176.695 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 1.9 t-160 -69.02 -36.82 78.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.753 175.819 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -78.36 -26.48 46.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.064 -176.386 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 808' ' ' SER . . . . . 0.454 ' HB2' ' HD2' ' A' ' 810' ' ' TYR . 1.4 p -81.49 -17.11 49.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.917 0.389 . . . . 0.0 111.021 -178.692 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 89.57 5.95 71.18 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.617 178.083 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 810' ' ' TYR . . . . . 0.454 ' HD2' ' HB2' ' A' ' 808' ' ' SER . 75.1 m-85 -91.02 2.54 56.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.985 0.422 . . . . 0.0 110.437 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.535 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.4 t80 -64.81 -39.46 93.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.653 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.62 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.901 0.382 . . . . 0.0 110.59 177.221 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 813' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 813' ' ' LEU . 0.0 OUTLIER -66.93 -38.68 86.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.214 175.571 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.539 ' CZ ' HG22 ' A' ' 886' ' ' VAL . 84.4 t80 -59.69 -35.41 74.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.816 178.662 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 815' ' ' VAL . . . . . 0.489 ' CG1' HD21 ' A' ' 890' ' ' LEU . 10.5 m -100.48 14.17 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 0.0 111.371 178.923 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -101.73 -64.79 1.03 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.384 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.51 -40.55 10.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.115 -174.159 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.689 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 58.5 t -55.9 -56.03 34.77 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -173.573 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.689 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 33.4 Cg_exo -59.7 -33.62 96.45 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.02 1.813 . . . . 0.0 112.085 -179.286 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.41 -42.43 65.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.452 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.56 -35.01 78.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.533 178.669 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.68 -43.99 99.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.017 0.436 . . . . 0.0 110.149 175.049 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -67.39 -34.03 76.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.148 0.499 . . . . 0.0 110.331 177.077 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.47 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.4 ttp180 -65.19 -41.6 94.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.004 175.545 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.515 ' HG ' ' HB ' ' A' ' 840' ' ' THR . 1.9 mt -55.12 -47.57 74.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.988 0.423 . . . . 0.0 110.109 174.611 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -54.77 -45.53 74.25 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.575 0.702 . . . . 0.0 110.459 175.404 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.0 m -64.17 -46.18 85.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.516 -177.198 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 7.8 mm-40 -74.15 -25.93 60.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.01 -177.472 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.49 84.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 0.0 109.897 174.007 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -69.44 -29.82 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.988 175.508 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 831' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 828' ' ' GLU . 0.3 OUTLIER -78.62 -13.48 59.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.051 176.11 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.59 21.06 12.56 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.721 -175.755 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -86.11 78.63 9.36 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.145 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.569 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 38.6 m-85 -61.91 -25.54 67.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.411 -179.113 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.7 85.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.16 0.505 . . . . 0.0 109.704 174.347 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -73.86 -36.09 64.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.09 177.385 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.4 OUTLIER -58.44 -44.72 89.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.404 174.223 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.1 85.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.222 176.475 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -61.87 -41.57 98.01 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.309 177.602 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 840' ' ' THR . . . . . 0.515 ' HB ' ' HG ' ' A' ' 825' ' ' LEU . 0.0 OUTLIER -71.05 -42.49 69.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.938 0.399 . . . . 0.0 110.426 179.346 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 841' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 845' ' ' LYS . . . -61.58 -34.15 75.12 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 175.691 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -61.16 -49.43 77.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.618 176.781 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -42.88 94.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.717 179.068 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 844' ' ' LEU . 6.0 mt -66.21 -46.42 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -177.504 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.444 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 0.0 OUTLIER -60.75 -37.3 81.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.09 178.527 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.45 -51.23 44.26 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.068 -0.586 . . . . 0.0 112.63 178.613 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.644 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 9.8 p -68.81 -36.2 73.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.938 0.369 . . . . 0.0 111.476 -177.842 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -66.67 -38.23 86.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.813 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 849' ' ' ALA . . . . . 0.62 ' HB2' ' HD2' ' A' ' 857' ' ' LYS . . . -64.6 -32.5 74.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.103 0.478 . . . . 0.0 110.283 175.03 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.22 -35.74 80.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.579 177.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.4 OUTLIER -86.93 -7.03 58.57 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.601 0.238 . . . . 0.0 110.406 175.525 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 71.84 19.57 4.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.089 177.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.49 81.93 2.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.568 177.844 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.497 ' HB ' ' CD ' ' A' ' 855' ' ' PRO . 3.4 t -52.36 -61.02 5.08 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.924 -174.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.497 ' CD ' ' HB ' ' A' ' 854' ' ' VAL . 8.1 Cg_endo -52.77 -43.72 53.69 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.413 2.075 . . . . 0.0 112.648 -178.793 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.98 -45.78 79.67 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.167 178.702 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 857' ' ' LYS . . . . . 0.62 ' HD2' ' HB2' ' A' ' 849' ' ' ALA . 23.4 tttt -62.6 -39.9 95.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.836 0.35 . . . . 0.0 110.107 178.361 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 858' ' ' GLN . . . . . 0.506 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 8.2 tp60 -66.53 -34.43 77.89 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.42 178.686 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -44.85 86.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.925 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 8.9 m -66.2 -35.57 80.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.076 177.171 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 861' ' ' GLU . . . . . 0.506 ' HG3' ' HA ' ' A' ' 858' ' ' GLN . 1.6 mt-10 -62.78 -48.31 79.7 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.064 0.459 . . . . 0.0 110.351 177.004 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.2 m -66.41 -33.26 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.574 178.211 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -46.33 89.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.214 174.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.18 -42.5 81.3 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.208 0.528 . . . . 0.0 110.183 176.084 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 865' ' ' HIS . . . . . 0.827 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 12.1 t60 -68.49 -29.55 68.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.26 179.199 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 866' ' ' LEU . . . . . 0.561 HD22 ' HA3' ' A' ' 874' ' ' GLY . 13.8 mt -75.46 -28.91 59.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.025 0.44 . . . . 0.0 110.258 176.476 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 834' ' ' PHE . 4.3 mt -72.2 -45.43 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.967 175.485 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.827 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -64.69 -36.26 83.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.736 178.793 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.563 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.3 OUTLIER -82.42 -12.13 58.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 178.742 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 870' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 870' ' ' LYS . 0.0 OUTLIER 57.92 64.76 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.324 -178.279 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -117.2 91.8 3.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.26 176.061 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.698 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 86.4 t -54.24 -54.95 42.13 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.046 -178.129 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.698 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 52.7 Cg_exo -56.17 -39.8 88.93 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.055 1.837 . . . . 0.0 112.159 178.756 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 874' ' ' GLY . . . . . 0.561 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -62.93 -49.84 68.84 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.854 177.294 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 879' ' ' ILE . 55.9 mt -57.1 -49.14 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.732 0.301 . . . . 0.0 110.221 177.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.57 -49.56 72.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.258 -179.802 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -36.19 82.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.376 -178.015 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -74.72 -32.2 62.08 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.031 -178.566 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 875' ' ' ILE . 89.4 mt -66.86 -41.44 87.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.057 175.321 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -33.22 71.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.955 0.407 . . . . 0.0 109.993 177.138 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -46.03 79.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.379 176.374 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 882' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 0.5 OUTLIER -64.69 -32.31 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 178.166 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 883' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 7.5 t70 -71.68 -44.1 64.85 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.068 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -38.6 83.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.772 -1.103 . . . . 0.0 109.77 173.861 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 885' ' ' TYR . . . . . 0.487 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 25.3 t80 -59.16 -57.49 12.81 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 122.528 1.156 . . . . 0.0 110.553 178.569 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.539 HG22 ' CZ ' ' A' ' 814' ' ' PHE . 1.5 t -62.41 -34.2 63.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 113.292 -1.776 . . . . 0.0 110.28 -178.378 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 887' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 0.1 OUTLIER -66.62 -33.58 75.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.704 178.3 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.99 -29.85 39.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 110.498 178.226 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -21.36 60.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.042 0.448 . . . . 0.0 110.619 177.328 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.489 HD21 ' CG1' ' A' ' 815' ' ' VAL . 14.4 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.459 -0.782 . . . . 0.0 110.627 176.368 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.012 0.434 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -66.07 -42.42 89.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.463 178.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -40.94 99.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.835 178.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -29.92 67.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 -179.175 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 806' ' ' HIS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 10.5 t-160 -76.15 -37.81 57.52 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.315 174.621 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.24 -37.06 85.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.338 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -33.04 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.037 177.138 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 103.01 8.62 41.52 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.668 177.101 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -96.57 13.01 29.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.342 0.592 . . . . 0.0 111.077 -177.613 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 811' ' ' TYR . . . . . 0.633 ' OH ' ' HA ' ' A' ' 890' ' ' LEU . 4.8 t80 -60.74 -30.71 70.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.685 174.144 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.66 -48.43 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.388 179.074 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.16 -32.64 73.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.121 0.486 . . . . 0.0 110.194 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 814' ' ' PHE . . . . . 0.471 ' HE1' ' HE1' ' A' ' 848' ' ' PHE . 18.3 t80 -61.2 -41.6 97.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.079 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.7 m -93.41 -0.83 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.823 0.344 . . . . 0.0 111.607 -178.294 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -94.82 -66.37 0.92 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.795 -175.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.6 t -102.82 -18.47 15.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -171.175 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 818' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 822' ' ' VAL . 94.5 t -65.73 -56.52 17.72 Favored Pre-proline 0 CA--C 1.536 0.427 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.789 -175.082 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 819' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 822' ' ' VAL . 21.8 Cg_endo -62.03 -26.05 78.1 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.847 1.698 . . . . 0.0 112.188 178.755 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -33.34 70.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.073 0.464 . . . . 0.0 109.823 177.13 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.98 -34.42 61.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.64 179.424 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 822' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 819' ' ' PRO . 1.1 m -65.89 -37.4 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.626 -0.43 . . . . 0.0 109.845 174.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 823' ' ' LYS . . . . . 0.604 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.2 OUTLIER -68.42 -38.72 81.48 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 174.792 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.671 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -59.66 -45.75 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.639 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 1.5 mt -53.26 -47.3 69.2 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.315 0.385 . . . . 0.0 110.515 176.421 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 826' ' ' TYR . . . . . 0.604 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 21.0 m-85 -53.7 -45.86 70.54 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.43 175.167 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.8 m -64.07 -46.53 83.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.903 -177.016 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 828' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 14.6 mm-40 -72.56 -30.83 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.623 -177.903 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.78 94.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.638 178.587 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.69 78.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.332 179.185 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.76 8.95 32.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.472 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.4 35.5 20.62 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.691 0.796 . . . . 0.0 111.005 179.376 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -88.69 71.77 8.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.403 178.084 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 834' ' ' PHE . . . . . 0.632 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 97.3 m-85 -61.1 -28.07 68.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.571 -179.335 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.02 97.33 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.194 0.521 . . . . 0.0 109.93 174.401 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.79 60.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.687 178.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 837' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.8 OUTLIER -57.14 -46.97 82.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.113 174.44 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.79 98.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.031 177.599 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -61.85 -47.41 85.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.633 0.254 . . . . 0.0 111.369 177.643 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 5.2 m -63.82 -40.06 95.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.781 179.654 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.5 87.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.911 0.386 . . . . 0.0 110.23 176.024 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -65.56 -41.9 92.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.189 176.752 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -43.85 92.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.221 177.595 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 844' ' ' LEU . . . . . 0.556 ' HA ' HG22 ' A' ' 847' ' ' VAL . 6.4 mt -66.29 -39.18 89.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.635 179.589 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 845' ' ' LYS . . . . . 0.732 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 23.3 ttmt -58.65 -44.24 90.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.821 175.223 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.26 71.35 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.009 -179.175 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.584 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 29.9 m -67.5 -39.15 81.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 117.223 0.511 . . . . 0.0 111.512 -176.914 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.471 ' HE1' ' HE1' ' A' ' 814' ' ' PHE . 3.4 m-85 -69.4 -40.89 77.08 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.53 88.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.941 0.4 . . . . 0.0 110.331 175.33 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 32.8 tpp -63.76 -43.74 95.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.692 176.578 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 60.7 mt -74.64 -10.78 59.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.214 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 852' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 0.8 OUTLIER 80.64 18.3 0.56 Allowed 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.655 0.74 . . . . 0.0 109.777 178.167 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 18.0 mt -87.87 80.6 7.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.898 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 854' ' ' VAL . . . . . 0.599 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 4.4 t -56.8 -52.64 72.24 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.414 -177.542 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 855' ' ' PRO . . . . . 0.599 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 65.0 Cg_exo -53.2 -47.59 26.67 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.36 2.04 . . . . 0.0 112.632 178.804 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -61.88 -45.86 95.31 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.992 178.02 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.13 -38.55 91.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.622 0.249 . . . . 0.0 110.46 179.539 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -35.49 79.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.114 178.156 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.55 -45.18 94.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.819 175.854 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 860' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 15.7 m -64.23 -37.32 87.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.32 177.483 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 861' ' ' GLU . . . . . 0.732 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 15.5 mt-10 -63.15 -45.96 89.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.148 177.747 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 4.9 m -66.83 -34.62 78.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.585 177.147 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.2 OUTLIER -60.52 -47.29 86.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.118 175.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.48 -45.0 73.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.255 0.55 . . . . 0.0 110.288 176.102 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -62.04 -44.27 97.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.879 177.799 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.35 -36.99 84.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.873 0.368 . . . . 0.0 110.71 179.486 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.525 ' HA ' HD11 ' A' ' 875' ' ' ILE . 43.5 mt -70.19 -39.84 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.975 178.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 868' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.28 -33.86 76.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.761 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 869' ' ' GLU . . . . . 0.479 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 10.9 pt-20 -96.52 1.37 51.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.093 0.473 . . . . 0.0 110.682 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 61.18 36.03 18.21 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.479 173.329 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -80.55 79.89 7.09 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.007 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 872' ' ' VAL . . . . . 0.67 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 6.6 t -49.04 -54.04 32.41 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.595 -175.534 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 873' ' ' PRO . . . . . 0.67 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 52.0 Cg_exo -55.87 -39.97 87.93 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.044 1.829 . . . . 0.0 112.336 178.155 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -68.61 -37.99 85.61 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.871 178.652 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.525 HD11 ' HA ' ' A' ' 867' ' ' ILE . 47.8 mt -61.84 -55.47 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.416 0.15 . . . . 0.0 111.02 179.322 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 876' ' ' GLU . . . . . 0.493 ' HA ' HD12 ' A' ' 879' ' ' ILE . 4.3 pt-20 -61.71 -40.04 93.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.689 -177.75 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -42.67 94.98 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.34 177.698 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 878' ' ' TYR . . . . . 0.449 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 2.4 m-85 -69.75 -32.03 70.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 -179.126 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 879' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 875' ' ' ILE . 78.7 mt -60.55 -45.34 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.561 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -29.06 67.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.981 176.517 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.23 -39.35 75.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.087 0.47 . . . . 0.0 110.24 178.222 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 5.5 mt -67.64 -33.18 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.659 173.541 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 883' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 14.0 t0 -69.56 -48.59 59.81 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.422 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.4 p -63.72 -40.41 96.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.574 178.827 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -48.71 -56.68 7.86 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 122.16 0.981 . . . . 0.0 109.858 172.428 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 886' ' ' VAL . . . . . 0.672 HG13 HD21 ' A' ' 890' ' ' LEU . 1.2 t -67.3 -37.16 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.142 0 CA-C-N 113.535 -1.666 . . . . 0.0 110.758 -176.882 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 887' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 14.1 mmtm -55.61 -40.97 72.81 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 177.605 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.2 p -90.92 -23.39 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.478 -176.728 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 889' ' ' LEU . . . . . 0.405 ' HB3' ' CE2' ' A' ' 814' ' ' PHE . 0.1 OUTLIER -81.6 -25.83 35.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -177.469 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.672 HD21 HG13 ' A' ' 886' ' ' VAL . 1.6 pp . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.317 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 775' ' ' MET . . . . . 0.606 ' HB2' ' HA ' ' A' ' 779' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.212 0.529 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.06 -27.12 7.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.65 -177.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.59 ' H ' ' CD ' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -102.34 -77.39 0.56 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.74 -178.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -69.35 -34.93 75.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.079 -177.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 779' ' ' VAL . . . . . 0.819 HG13 ' H ' ' A' ' 780' ' ' LEU . 4.3 p 41.7 -90.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.684 1.193 . . . . 0.0 112.814 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 780' ' ' LEU . . . . . 0.819 ' H ' HG13 ' A' ' 779' ' ' VAL . 12.8 mt -143.97 142.91 30.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 117.921 0.328 . . . . 0.0 110.521 -178.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.06 162.53 19.83 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.992 ' HG ' HG12 ' A' ' 783' ' ' ILE . 0.1 OUTLIER -73.58 -45.76 51.28 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.992 HG12 ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -163.39 -126.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 171.457 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.519 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 0.0 OUTLIER -142.38 -39.78 0.35 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.734 -0.387 . . . . 0.0 111.247 174.711 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.41 HG13 ' HG2' ' A' ' 784' ' ' GLU . 4.4 m -108.51 -37.87 3.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.748 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 786' ' ' GLN . . . . . 0.894 ' HG3' HD11 ' A' ' 782' ' ' LEU . 0.0 OUTLIER 62.98 73.19 0.47 Allowed 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 122.759 0.424 . . . . 0.0 111.359 177.216 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 61.32 23.62 13.83 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.376 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -120.13 168.02 11.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.308 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 63.24 23.24 13.75 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.705 0.628 . . . . 0.0 111.753 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -118.77 156.9 28.56 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.85 120.39 20.37 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.522 -176.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 12.3 p -93.76 49.29 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-O 122.536 1.16 . . . . 0.0 109.945 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 10.8 t -93.97 26.15 3.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.981 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.55 -168.96 2.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.16 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 59.1 97.54 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.53 0 C-N-CA 123.736 0.814 . . . . 0.0 111.431 -177.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.96 -144.26 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.176 2.584 . . . . 0.0 112.168 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.97 133.12 51.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 132.28 96.92 0.66 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.572 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -142.37 -68.54 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.566 -0.613 . . . . 0.0 111.566 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -165.95 40.34 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.591 0.71 . . . . 0.0 109.308 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 34.5 mp0 -55.0 -40.11 69.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.27 -174.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -36.49 76.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.951 0.405 . . . . 0.0 110.242 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -69.4 -36.9 77.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.032 0.444 . . . . 0.0 110.045 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -60.52 -48.47 81.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.602 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -31.33 72.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.69 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -68.21 -40.13 82.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.741 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.08 70.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.832 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -31.18 70.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.966 0.412 . . . . 0.0 110.389 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 107.74 -0.98 34.1 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.833 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.418 ' HD2' HD23 ' A' ' 851' ' ' LEU . 1.4 m-30 -76.8 -0.62 24.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.195 0.522 . . . . 0.0 110.689 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.444 ' O ' HG22 ' A' ' 815' ' ' VAL . 0.9 OUTLIER -61.06 -29.45 69.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.07 174.545 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.49 -40.54 91.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.488 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.2 mt -71.93 -36.6 69.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.011 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 889' ' ' LEU . 0.4 OUTLIER -59.18 -31.88 69.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.535 -178.447 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 815' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 811' ' ' TYR . 11.9 m -106.39 6.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.691 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -97.43 -81.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.718 0.294 . . . . 0.0 110.714 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.0 -21.93 23.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.776 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 92.9 t -64.5 -57.68 16.28 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -173.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.776 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 39.4 Cg_exo -62.5 -28.68 77.88 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 121.923 1.749 . . . . 0.0 111.786 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.5 ' O ' ' HG3' ' A' ' 823' ' ' LYS . 15.5 t70 -66.59 -41.9 87.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.462 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.72 -34.04 71.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.165 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 825' ' ' LEU . 53.7 t -65.74 -49.34 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 823' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -67.26 -29.11 68.64 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.45 178.492 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.729 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 6.5 ttm105 -68.13 -44.29 76.43 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.679 ' HG ' HG21 ' A' ' 840' ' ' THR . 9.8 mt -48.05 -49.87 29.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.979 0.419 . . . . 0.0 110.414 174.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.42 -45.02 92.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.016 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 36.1 m -66.73 -45.47 78.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.387 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.729 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 4.0 mm-40 -71.66 -30.19 65.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.778 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 829' ' ' ALA . . . . . 0.452 ' HB2' HD21 ' A' ' 837' ' ' LEU . . . -64.68 -39.32 93.47 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.867 0.365 . . . . 0.0 110.174 175.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.56 85.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.999 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -10.29 59.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.408 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 6.7 m 66.51 33.77 6.5 Favored 'General case' 0 N--CA 1.46 0.057 0 CA-C-O 121.456 0.646 . . . . 0.0 110.47 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -82.78 76.48 9.62 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.469 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.62 ' HA ' HD12 ' A' ' 837' ' ' LEU . 58.1 m-85 -55.15 -27.71 47.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.014 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.97 91.42 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.113 0.482 . . . . 0.0 110.729 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 836' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 839' ' ' GLN . . . -82.2 -33.94 29.18 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.365 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 834' ' ' PHE . 44.4 mt -60.16 -43.0 96.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.77 -1.104 . . . . 0.0 109.938 174.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -67.62 -49.29 63.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.969 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 839' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 836' ' ' ALA . 0.1 OUTLIER -60.99 -39.59 90.23 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.29 -178.285 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 840' ' ' THR . . . . . 0.679 HG21 ' HG ' ' A' ' 825' ' ' LEU . 4.5 m -73.29 -37.26 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.87 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.33 93.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 110.114 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.59 -38.12 77.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.597 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -47.92 82.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.482 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.586 ' HA ' HG22 ' A' ' 847' ' ' VAL . 11.9 mt -64.96 -41.0 95.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.533 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.695 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 11.1 ttmt -56.28 -44.05 79.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.087 175.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.57 -44.78 70.3 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.762 -0.653 . . . . 0.0 113.083 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.586 HG22 ' HA ' ' A' ' 844' ' ' LEU . 31.4 m -71.91 -32.37 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 117.115 0.458 . . . . 0.0 111.204 -177.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.69 -38.15 73.67 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.6 78.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.081 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 2.6 tpp -66.55 -41.77 88.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.473 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.418 HD23 ' HD2' ' A' ' 810' ' ' TYR . 60.4 mt -74.52 -11.48 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.485 176.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 74.5 25.05 1.67 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.386 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.96 92.95 8.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.868 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.462 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 2.6 t -61.9 -55.94 36.76 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.965 -175.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 10.0 Cg_endo -54.52 -36.74 89.43 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.412 2.075 . . . . 0.0 112.782 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.41 -47.82 67.83 Favored Glycine 0 C--O 1.239 0.436 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.723 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -35.71 80.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -44.74 90.79 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.9 mt -58.88 -44.08 91.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.978 0.418 . . . . 0.0 110.301 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 12.2 m -66.66 -32.38 73.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.075 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 861' ' ' GLU . . . . . 0.695 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 1.4 mm-40 -65.04 -47.98 75.46 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -34.6 78.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.409 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.6 OUTLIER -57.42 -51.08 70.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 177.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 864' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 867' ' ' ILE . 2.5 pt-20 -62.95 -36.37 83.22 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 110.426 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -67.35 -38.78 85.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.591 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 866' ' ' LEU . . . . . 0.504 HD22 ' HA3' ' A' ' 874' ' ' GLY . 14.6 mt -67.29 -29.79 69.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.788 0.327 . . . . 0.0 110.383 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 864' ' ' GLU . 23.5 mt -72.37 -38.78 61.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.605 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.38 -35.74 81.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.9 177.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.605 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 20.1 mm-40 -85.4 -7.4 58.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 870' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 870' ' ' LYS . 14.6 mmtp 62.07 36.72 15.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.079 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -89.98 82.0 6.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.485 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.9 t -52.03 -53.24 54.0 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.411 -176.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 13.3 Cg_endo -57.53 -35.03 98.91 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.327 2.018 . . . . 0.0 112.424 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 874' ' ' GLY . . . . . 0.504 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -70.36 -42.08 66.1 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.029 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 872' ' ' VAL . 56.2 mt -57.25 -53.39 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.626 0.25 . . . . 0.0 110.46 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 876' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 0.2 OUTLIER -65.59 -33.89 76.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.002 -178.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 877' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -59.1 -49.52 77.57 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.166 176.745 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.501 ' HA ' ' HB2' ' A' ' 881' ' ' ASP . 4.8 m-85 -72.45 -31.88 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 -177.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.21 -43.12 88.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.3 m -67.43 -37.01 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.468 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 881' ' ' ASP . . . . . 0.501 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -65.69 -35.09 79.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.185 0.517 . . . . 0.0 110.597 178.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 68.3 mt -73.69 -33.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.155 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -69.29 -46.85 66.2 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.0 p -62.9 -38.49 91.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.067 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 885' ' ' TYR . . . . . 0.5 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 5.7 t80 -60.5 -57.87 10.88 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.995 0.903 . . . . 0.0 110.312 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.474 HG22 ' HE1' ' A' ' 814' ' ' PHE . 0.9 OUTLIER -59.61 -36.56 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 CA-C-N 113.751 -1.568 . . . . 0.0 110.358 -178.154 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 178.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -27.6 61.7 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.572 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 889' ' ' LEU . . . . . 0.481 ' HB3' ' CE2' ' A' ' 814' ' ' PHE . 0.2 OUTLIER -88.14 -13.02 42.34 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.094 -0.243 . . . . 0.0 111.459 -178.528 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.458 176.631 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 16.0 ttm . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.353 0.121 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.66 -13.97 60.34 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -68.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.249 0.547 . . . . 0.0 109.597 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -88.23 53.31 2.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.558 0.694 . . . . 0.0 109.793 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 9.0 p -87.09 155.81 3.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.566 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 780' ' ' LEU . . . . . 0.487 ' H ' ' HG ' ' A' ' 780' ' ' LEU . 0.0 OUTLIER -54.18 -50.3 67.34 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 174.462 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 781' ' ' GLN . . . . . 0.69 ' HG3' ' HG2' ' A' ' 784' ' ' GLU . 0.6 OUTLIER 173.9 -44.83 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.098 -0.956 . . . . 0.0 108.794 176.439 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 1.052 ' HG ' HG12 ' A' ' 783' ' ' ILE . 50.7 tp 66.17 -83.74 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.25 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 1.052 HG12 ' HG ' ' A' ' 782' ' ' LEU . 0.2 OUTLIER -142.1 1.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.037 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.69 ' HG2' ' HG3' ' A' ' 781' ' ' GLN . 15.2 mm-40 71.84 -19.45 0.27 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.544 0.737 . . . . 0.0 112.496 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.546 HG23 ' H ' ' A' ' 786' ' ' GLN . 0.0 OUTLIER -92.04 -61.9 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.723 0.297 . . . . 0.0 110.477 -176.168 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 786' ' ' GLN . . . . . 0.546 ' H ' HG23 ' A' ' 785' ' ' VAL . 0.7 OUTLIER 65.63 4.05 2.68 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.483 175.337 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 787' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 787' ' ' LEU . 0.0 OUTLIER -168.73 -48.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.912 0.387 . . . . 0.0 110.545 -178.16 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 788' ' ' ALA . . . . . 0.445 ' HB3' HG12 ' A' ' 785' ' ' VAL . . . -65.7 -18.05 65.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.495 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 789' ' ' GLN . . . . . 0.467 ' HB2' HG11 ' A' ' 785' ' ' VAL . 0.0 OUTLIER -145.75 140.43 27.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 176.708 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.641 ' HG3' ' H ' ' A' ' 791' ' ' GLU . 0.7 OUTLIER 62.95 -174.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 O-C-N 124.16 0.913 . . . . 0.0 110.867 -174.211 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 791' ' ' GLU . . . . . 0.641 ' H ' ' HG3' ' A' ' 790' ' ' GLU . 2.8 tp10 56.34 25.54 9.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.188 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 792' ' ' VAL . . . . . 0.499 ' HB ' ' H ' ' A' ' 793' ' ' THR . 0.1 OUTLIER 34.07 -144.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.029 0.932 . . . . 0.0 112.522 -172.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 793' ' ' THR . . . . . 0.499 ' H ' ' HB ' ' A' ' 792' ' ' VAL . 0.1 OUTLIER -133.04 -2.53 3.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.337 -0.227 . . . . 0.0 111.383 175.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 64.83 -83.05 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.394 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.33 115.59 55.84 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 120.969 0.414 . . . . 0.0 111.339 -178.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -75.34 84.94 1.63 Allowed 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.996 2.464 . . . . 0.0 112.067 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 57.61 -131.44 1.42 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.526 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -136.1 -61.82 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.391 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 88.39 -14.31 59.84 Favored Glycine 0 N--CA 1.453 -0.185 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.97 50.47 2.05 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -54.17 -34.2 59.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.875 -174.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -62.84 -42.09 99.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.672 0.272 . . . . 0.0 110.742 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -71.1 -39.41 72.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.753 0.311 . . . . 0.0 110.416 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -61.63 -47.17 86.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.022 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.561 ' HA ' ' CE1' ' A' ' 810' ' ' TYR . 0.1 OUTLIER -67.93 -32.71 73.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.573 -178.837 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.539 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 18.8 t-80 -70.72 -51.3 28.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.069 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -68.95 -27.63 65.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.977 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 72.4 m -78.92 -1.14 33.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.24 -31.33 4.47 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.535 -0.84 . . . . 0.0 114.02 172.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 805' ' ' LEU . 1.7 p90 -73.38 8.6 1.67 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.655 0.727 . . . . 0.0 111.932 -176.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.539 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 15.6 t80 -61.74 -32.11 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 170.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 812' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -61.22 -42.53 98.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.598 177.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -31.13 63.68 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 109.773 177.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.447 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 51.1 t80 -61.03 -40.08 92.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.608 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 815' ' ' VAL . . . . . 0.435 HG12 HD21 ' A' ' 890' ' ' LEU . 32.1 m -93.42 2.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 0.0 111.212 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 816' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 5.4 t0 -92.24 -61.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.775 -178.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.9 t -104.79 -34.04 8.22 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' A' ' 814' ' ' PHE . 46.2 t -57.36 -55.23 46.55 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -170.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 818' ' ' VAL . 17.9 Cg_endo -60.97 -39.65 59.03 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 121.597 1.531 . . . . 0.0 111.921 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 824' ' ' ARG . 16.3 t70 -65.79 -40.12 91.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.216 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 821' ' ' ASP . . . . . 0.706 ' HB3' HD21 ' A' ' 844' ' ' LEU . 0.4 OUTLIER -60.08 -40.28 89.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.299 177.847 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.5 -42.31 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.448 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 823' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 826' ' ' TYR . 0.1 OUTLIER -62.27 -39.91 94.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.565 177.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.529 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 60.4 mtm-85 -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.21 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.73 -42.0 87.71 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 823' ' ' LYS . 10.9 m-85 -57.37 -43.04 83.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.121 173.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.8 m -65.57 -45.54 82.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.631 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.9 mm-40 -70.94 -28.05 64.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.052 0.453 . . . . 0.0 110.675 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 829' ' ' ALA . . . . . 0.777 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -70.3 -33.93 72.13 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.685 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.12 -30.81 71.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.147 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -7.8 52.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.77 0.319 . . . . 0.0 111.032 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.69 33.07 22.81 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 110.275 -177.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -84.83 76.68 10.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.942 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.616 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 96.9 m-85 -52.74 -30.51 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.705 -178.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.558 0.695 . . . . 0.0 110.182 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -80.78 -34.01 34.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.498 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.777 HD11 ' HA ' ' A' ' 829' ' ' ALA . 0.4 OUTLIER -58.18 -45.97 86.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.929 174.729 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.51 91.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.259 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -64.68 -39.33 93.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.605 0.241 . . . . 0.0 111.202 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 4.9 m -74.05 -38.03 64.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.67 0.271 . . . . 0.0 110.754 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.56 78.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.016 0.436 . . . . 0.0 109.88 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -44.25 94.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.04 173.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 2.8 mtm-85 -64.26 -44.86 90.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.888 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.706 HD21 ' HB3' ' A' ' 821' ' ' ASP . 0.9 OUTLIER -66.59 -40.2 88.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.171 0.51 . . . . 0.0 110.413 -178.321 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -63.14 -40.01 96.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.786 175.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.13 -45.45 71.51 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.955 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 844' ' ' LEU . 16.2 m -65.78 -41.69 90.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 117.091 0.446 . . . . 0.0 111.227 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -67.65 -40.38 84.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.42 -34.74 78.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -60.63 -47.13 87.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.776 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.18 -5.67 59.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.854 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.9 34.67 1.88 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.076 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 853' ' ' LEU . 9.6 mt -85.51 82.71 8.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.158 174.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.521 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 14.3 t -49.31 -54.01 34.01 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.753 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.521 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 49.6 Cg_exo -55.28 -43.71 56.07 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.92 1.747 . . . . 0.0 112.247 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.35 -48.31 70.55 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.375 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -36.13 83.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.569 0.223 . . . . 0.0 110.6 -179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -36.37 83.36 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.116 0.484 . . . . 0.0 110.109 177.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -44.99 90.77 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.878 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 56.5 m -63.8 -42.06 97.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.419 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -58.08 -48.11 81.15 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.094 0.473 . . . . 0.0 110.65 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 7.3 m -66.49 -36.19 82.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.835 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.577 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.6 OUTLIER -63.46 -44.35 94.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.479 176.44 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -36.54 77.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.939 0.399 . . . . 0.0 110.458 177.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -59.99 -47.06 87.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.027 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 866' ' ' LEU . . . . . 0.577 HD22 ' HA3' ' A' ' 874' ' ' GLY . 7.9 mt -64.12 -33.97 76.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.776 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.647 ' HA ' HD11 ' A' ' 875' ' ' ILE . 56.6 mt -74.41 -37.31 44.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.422 0.63 . . . . 0.0 109.558 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -63.13 -36.27 83.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.8 179.295 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.527 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 18.6 pt-20 -92.1 -0.63 57.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.867 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 66.0 mttt 60.36 37.63 20.02 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.763 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -87.45 84.27 7.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.951 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -51.58 68.51 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -176.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.417 ' O ' ' HG3' ' A' ' 876' ' ' GLU . 51.4 Cg_exo -55.44 -42.13 71.21 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.243 1.962 . . . . 0.0 112.554 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 874' ' ' GLY . . . . . 0.577 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -68.09 -38.9 88.76 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.919 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.647 HD11 ' HA ' ' A' ' 867' ' ' ILE . 37.5 mt -61.39 -54.43 35.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.397 0.141 . . . . 0.0 110.737 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 876' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 0.7 OUTLIER -62.33 -36.11 81.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.613 -178.28 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -49.42 76.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.946 0.403 . . . . 0.0 110.642 177.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.577 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 1.6 m-85 -72.21 -32.11 66.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.498 -177.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.472 ' O ' HG22 ' A' ' 882' ' ' ILE . 20.8 mt -62.76 -44.66 99.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.177 174.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 6.0 m -64.17 -32.92 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.053 0.454 . . . . 0.0 110.204 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.62 -33.95 67.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.078 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 882' ' ' ILE . . . . . 0.478 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 1.3 tt -70.84 -31.33 45.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.239 0.542 . . . . 0.0 110.057 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.17 -42.44 62.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.329 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 6.2 p -68.15 -32.14 72.2 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.823 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 885' ' ' TYR . . . . . 0.478 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 74.6 t80 -56.2 -57.68 11.18 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.565 1.174 . . . . 0.0 109.89 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -30.56 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 CA-C-N 113.049 -1.887 . . . . 0.0 110.724 -176.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -70.67 -35.94 73.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.369 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.88 -25.97 61.27 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.245 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 1.7 mp -81.42 -19.07 43.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.612 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.435 HD21 HG12 ' A' ' 815' ' ' VAL . 3.7 mt . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.145 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 775' ' ' MET . . . . . 0.407 ' SD ' ' HG3' ' A' ' 776' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.289 0.09 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 776' ' ' GLN . . . . . 0.557 ' OE1' ' HG2' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -75.95 -55.69 5.37 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.639 0.257 . . . . 0.0 111.391 -177.176 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.557 ' HG2' ' OE1' ' A' ' 776' ' ' GLN . 19.3 mm-40 -64.98 -63.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.601 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -82.1 65.02 7.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.18 0.514 . . . . 0.0 110.95 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 4.2 p -73.3 155.02 7.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.437 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 780' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' A' ' 780' ' ' LEU . 0.0 OUTLIER -65.26 135.71 55.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.744 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -103.45 167.35 9.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.928 ' HG ' HG13 ' A' ' 783' ' ' ILE . 0.5 OUTLIER -119.72 -41.1 2.7 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.977 175.063 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.928 HG13 ' HG ' ' A' ' 782' ' ' LEU . 1.1 mt -88.46 42.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.498 0.666 . . . . 0.0 110.628 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -26.5 56.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.595 0.712 . . . . 0.0 109.136 174.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.626 ' HB ' ' HB2' ' A' ' 789' ' ' GLN . 0.0 OUTLIER -147.39 -47.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.044 176.074 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 786' ' ' GLN . . . . . 0.516 ' HB2' ' HA ' ' A' ' 783' ' ' ILE . 0.7 OUTLIER 53.8 -114.01 0.83 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.426 172.421 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 787' ' ' LEU . . . . . 0.459 ' H ' ' HB3' ' A' ' 786' ' ' GLN . 1.6 mp -78.84 -3.38 44.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.605 -171.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -94.91 -1.77 51.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.96 0.41 . . . . 0.0 111.031 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 789' ' ' GLN . . . . . 0.626 ' HB2' ' HB ' ' A' ' 785' ' ' VAL . 1.6 mt-30 -139.41 52.11 1.75 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.963 -178.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -153.8 -175.04 5.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.309 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 791' ' ' GLU . . . . . 0.436 ' HB3' ' H ' ' A' ' 792' ' ' VAL . 2.3 mm-40 53.61 -149.6 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.291 0.994 . . . . 0.0 111.787 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 792' ' ' VAL . . . . . 0.436 ' H ' ' HB3' ' A' ' 791' ' ' GLU . 19.2 m 40.73 49.09 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.524 1.13 . . . . 0.0 112.954 177.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.45 60.52 3.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.378 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -112.34 140.83 46.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.065 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 795' ' ' SER . . . . . 0.455 ' HA ' ' HD2' ' A' ' 796' ' ' PRO . 1.1 p -161.93 118.38 1.31 Allowed Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.562 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 795' ' ' SER . 19.6 Cg_endo -60.3 133.99 52.81 Favored 'Trans proline' 0 CA--C 1.517 -0.337 0 C-N-CA 122.745 2.297 . . . . 0.0 112.733 176.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.463 ' H ' ' HG ' ' A' ' 797' ' ' LEU . 0.2 OUTLIER -87.57 151.85 22.66 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.498 -177.7 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -66.31 -12.63 58.75 Favored Glycine 0 C--N 1.321 -0.303 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.353 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 89.82 10.04 65.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.998 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 800' ' ' ASP . . . . . 0.495 ' HB3' ' HB3' ' A' ' 803' ' ' ALA . 8.4 t70 -146.08 100.9 3.45 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.443 ' HB2' HD21 ' A' ' 889' ' ' LEU . 4.9 mp0 -62.21 -37.58 85.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.22 -175.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -46.98 81.4 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.764 0.316 . . . . 0.0 110.502 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 803' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 800' ' ' ASP . . . -63.96 -42.27 97.33 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.457 178.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -56.81 -54.93 40.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.356 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.801 ' HB3' ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -52.86 -48.48 67.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.362 178.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -65.16 -57.71 7.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.543 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -66.01 -33.97 77.02 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -170.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 54.2 p -77.39 -15.61 59.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.061 0.458 . . . . 0.0 111.167 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 81.79 5.3 89.93 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.694 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -80.58 -6.54 58.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.598 -0.301 . . . . 0.0 110.578 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.801 ' HD1' ' HB3' ' A' ' 805' ' ' LEU . 8.6 t80 -56.92 -34.95 68.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.195 176.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.37 -46.03 89.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.625 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -39.24 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.352 0.596 . . . . 0.0 109.823 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.482 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 82.8 t80 -59.31 -41.93 90.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.61 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 815' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 811' ' ' TYR . 29.6 m -96.07 7.3 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.699 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.13 -70.48 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.971 0.415 . . . . 0.0 111.044 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 817' ' ' THR . . . . . 0.422 HG21 HG11 ' A' ' 847' ' ' VAL . 4.1 t -91.24 -33.67 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.902 -173.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.482 ' HB ' ' O ' ' A' ' 814' ' ' PHE . 86.0 t -59.19 -56.17 38.79 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -171.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 818' ' ' VAL . 13.9 Cg_endo -57.83 -38.41 92.79 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 121.873 1.715 . . . . 0.0 112.532 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.43 -32.96 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.809 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.39 -37.33 82.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.989 0.423 . . . . 0.0 110.014 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.92 -44.62 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.853 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.28 -39.78 76.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.069 174.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.683 ' HB3' HG21 ' A' ' 840' ' ' THR . 0.0 OUTLIER -66.01 -48.43 71.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.304 178.249 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 825' ' ' LEU . 7.1 mt -49.66 -46.8 50.13 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.108 0.48 . . . . 0.0 110.233 175.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -60.76 -43.72 97.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.965 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 63.7 m -67.98 -45.64 73.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.512 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.662 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 28.5 mm-40 -69.21 -28.1 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.974 0.416 . . . . 0.0 110.501 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 829' ' ' ALA . . . . . 0.809 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -69.07 -37.58 78.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.694 176.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.85 72.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.254 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -9.11 44.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.434 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.82 34.4 17.16 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.412 -175.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -87.34 73.8 9.56 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.738 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 88.9 m-85 -60.4 -21.34 62.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.724 -175.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.71 82.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.312 0.577 . . . . 0.0 109.793 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -79.12 -31.83 44.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.394 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.809 HD11 ' HA ' ' A' ' 829' ' ' ALA . 0.2 OUTLIER -59.31 -45.72 90.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.187 173.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.58 94.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.521 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -57.12 -47.26 81.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.126 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 840' ' ' THR . . . . . 0.683 HG21 ' HB3' ' A' ' 824' ' ' ARG . 0.3 OUTLIER -72.88 -41.86 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.718 -178.483 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 841' ' ' ALA . . . . . 0.684 ' O ' ' HG3' ' A' ' 845' ' ' LYS . . . -58.62 -47.02 85.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.477 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 842' ' ' HIS . . . . . 0.667 ' HA ' ' HD3' ' A' ' 845' ' ' LYS . 3.0 t60 -58.29 -44.0 88.3 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.469 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.485 ' HD3' ' HA ' ' A' ' 843' ' ' ARG . 0.0 OUTLIER -61.95 -40.55 95.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.749 179.315 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.41 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -64.29 -41.54 96.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.437 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' A' ' 841' ' ' ALA . 29.2 mtpt -55.57 -48.86 74.12 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -62.13 -45.41 96.11 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.626 -0.715 . . . . 0.0 113.415 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.569 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 17.7 m -73.84 -37.34 48.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 117.321 0.561 . . . . 0.0 111.307 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.478 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 0.9 OUTLIER -68.3 -42.15 79.87 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 177.377 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.27 -26.89 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.998 0.428 . . . . 0.0 110.486 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 850' ' ' MET . . . . . 0.534 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 0.1 OUTLIER -62.87 -45.04 94.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.264 177.114 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -85.77 -7.66 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.556 176.222 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.91 39.16 0.67 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.92 0.867 . . . . 0.0 110.461 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.43 75.03 10.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.418 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.757 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 21.2 t -50.35 -58.59 9.31 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -173.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.757 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 51.8 Cg_exo -56.25 -43.13 59.01 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.205 1.937 . . . . 0.0 112.674 -177.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.02 -45.91 78.18 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.812 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 857' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 861' ' ' GLU . 0.0 OUTLIER -63.2 -41.23 99.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.497 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -58.12 -40.71 81.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.617 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.43 -42.56 92.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.012 176.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 22.6 m -66.75 -35.09 79.29 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.736 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 861' ' ' GLU . . . . . 0.635 ' HG2' ' HE3' ' A' ' 845' ' ' LYS . 8.1 mt-10 -66.21 -48.92 69.04 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.39 0.614 . . . . 0.0 110.168 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 862' ' ' THR . . . . . 0.583 ' HB ' ' HE2' ' A' ' 878' ' ' TYR . 1.9 m -63.68 -31.85 73.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.298 176.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -42.19 99.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.337 175.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -57.84 -44.62 86.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.971 0.415 . . . . 0.0 110.013 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.44 -46.98 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.006 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.71 -31.97 72.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.598 0.237 . . . . 0.0 111.084 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 22.1 mt -72.98 -41.74 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.43 -30.89 71.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.362 177.599 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 4.3 tt0 -84.05 -20.06 33.33 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.913 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.29 40.58 6.51 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.764 -174.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -83.35 77.78 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.452 -0.794 . . . . 0.0 108.928 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.646 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 2.6 t -49.2 -55.37 21.7 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.818 -173.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.646 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.2 Cg_exo -54.52 -43.63 57.07 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.2 1.933 . . . . 0.0 112.263 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -66.71 -39.16 93.6 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.087 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.512 ' O ' HG13 ' A' ' 879' ' ' ILE . 71.0 mt -57.66 -58.5 5.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.469 0.176 . . . . 0.0 110.895 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 876' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 6.8 pt-20 -65.04 -36.97 86.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.991 -176.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -38.21 90.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.886 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.583 ' HE2' ' HB ' ' A' ' 862' ' ' THR . 2.5 m-85 -69.99 -40.71 75.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.663 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 875' ' ' ILE . 20.8 mt -64.6 -30.81 51.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.952 0.406 . . . . 0.0 110.062 175.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 28.1 m -67.65 -37.58 82.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.189 175.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.75 -32.46 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.57 -34.01 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.466 0.651 . . . . 0.0 109.865 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.45 -38.27 71.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.308 -177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 884' ' ' SER . . . . . 0.466 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 3.0 p -73.7 -29.99 62.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.396 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -61.45 -57.39 12.4 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.157 0.979 . . . . 0.0 109.297 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.565 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.9 OUTLIER -58.65 -36.47 60.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 114.062 -1.426 . . . . 0.0 109.734 178.173 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 887' ' ' LYS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 0.0 OUTLIER -57.85 -43.85 86.16 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.526 177.595 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.19 -18.65 41.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.191 -176.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 889' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 801' ' ' GLU . 85.9 mt -86.81 -15.2 39.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.109 178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 33.6 mt . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.502 174.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 775' ' ' MET . . . . . 0.728 ' HG2' ' HA ' ' A' ' 779' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.883 0.373 . . . . 0.0 110.824 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.53 -53.85 0.46 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.14 0.495 . . . . 0.0 110.033 177.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -53.87 5.48 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 174.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -90.34 76.17 6.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.217 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 779' ' ' VAL . . . . . 0.728 ' HA ' ' HG2' ' A' ' 775' ' ' MET . 4.0 p -78.93 -28.15 13.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.187 -175.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 780' ' ' LEU . . . . . 0.491 ' HB2' ' H ' ' A' ' 781' ' ' GLN . 0.5 OUTLIER 55.43 -101.07 0.12 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.616 178.58 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 781' ' ' GLN . . . . . 0.491 ' H ' ' HB2' ' A' ' 780' ' ' LEU . 0.6 OUTLIER -116.57 138.38 51.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 111.292 -175.755 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.93 ' HG ' HG13 ' A' ' 783' ' ' ILE . 1.2 pt? -64.15 -42.5 96.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.058 174.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.93 HG13 ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -157.46 -136.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.195 174.403 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.51 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 3.2 mp0 -101.31 -19.46 15.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.051 0.453 . . . . 0.0 110.547 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.571 HG23 HD12 ' A' ' 783' ' ' ILE . 0.1 OUTLIER -103.87 78.03 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -176.654 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -76.81 56.53 1.19 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.859 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 787' ' ' LEU . . . . . 0.472 ' HB3' ' H ' ' A' ' 788' ' ' ALA . 0.3 OUTLIER -176.21 -95.24 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.408 178.716 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 788' ' ' ALA . . . . . 0.472 ' H ' ' HB3' ' A' ' 787' ' ' LEU . . . -167.57 142.67 3.86 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.536 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.93 -109.04 0.36 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 173.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -107.14 -170.04 1.64 Allowed 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 171.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -148.5 138.61 22.43 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.35 57.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.147 0.499 . . . . 0.0 110.278 177.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.9 -46.36 45.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.456 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 49.04 -137.16 1.0 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.996 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 795' ' ' SER . . . . . 0.56 ' HB2' ' HD3' ' A' ' 796' ' ' PRO . 0.5 OUTLIER -121.27 -55.8 0.03 OUTLIER Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.892 171.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.56 ' HD3' ' HB2' ' A' ' 795' ' ' SER . 89.9 Cg_endo -99.16 -162.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 122.684 2.256 . . . . 0.0 111.257 171.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.582 HD13 ' HG2' ' A' ' 801' ' ' GLU . 4.6 mt -91.92 -17.24 25.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.255 0.55 . . . . 0.0 109.938 175.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 83.25 -65.28 4.16 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.877 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 160.13 164.77 15.78 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 800' ' ' ASP . . . . . 0.421 ' HB3' ' HB3' ' A' ' 803' ' ' ALA . 4.4 m-20 61.46 49.18 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.383 0.611 . . . . 0.0 110.596 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.582 ' HG2' HD13 ' A' ' 797' ' ' LEU . 56.2 mp0 -63.44 -34.94 78.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.758 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 802' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 806' ' ' HIS . 15.0 p-10 -65.18 -32.76 74.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.534 176.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 803' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 800' ' ' ASP . . . -73.05 -37.87 66.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.915 0.388 . . . . 0.0 110.245 177.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -47.05 82.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.556 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -67.09 -31.55 72.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.418 178.679 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 802' ' ' ASN . 3.5 t-160 -67.43 -40.42 85.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.655 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -74.17 -40.19 62.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.53 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 11.7 m -76.17 3.62 10.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 75.49 20.18 78.77 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.94 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.597 ' HB3' HD22 ' A' ' 851' ' ' LEU . 12.4 m-85 -85.0 -12.58 52.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.81 0.338 . . . . 0.0 110.799 -178.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.417 ' O ' HG22 ' A' ' 815' ' ' VAL . 0.3 OUTLIER -60.95 -30.04 70.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.914 -178.432 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 812' ' ' ALA . . . . . 0.599 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -61.33 -36.0 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.063 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 2.4 mp -85.3 -35.07 21.72 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.363 0.601 . . . . 0.0 110.234 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -56.03 -58.99 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.021 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 815' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 811' ' ' TYR . 27.5 m -82.86 3.01 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.937 0.399 . . . . 0.0 111.348 -176.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 816' ' ' ASP . . . . . 0.599 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 3.2 t70 -96.05 -57.23 2.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.682 -175.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.3 t -106.54 -30.72 8.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.437 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 94.4 t -58.89 -59.18 14.62 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -171.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.685 ' HA ' HG22 ' A' ' 822' ' ' VAL . 30.4 Cg_endo -64.53 -29.84 61.51 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.743 1.629 . . . . 0.0 112.821 -178.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.12 -40.95 67.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.116 0.484 . . . . 0.0 109.939 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.56 -43.13 77.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.828 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.685 HG22 ' HA ' ' A' ' 819' ' ' PRO . 34.7 m -67.75 -31.6 53.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.695 0.283 . . . . 0.0 111.157 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -65.45 -45.96 81.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 11.3 mtp180 -64.47 -37.25 86.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.356 176.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 822' ' ' VAL . 0.8 OUTLIER -54.61 -45.74 73.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.156 175.035 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -37.53 87.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.425 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.1 m -65.32 -46.64 79.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.7 mm-40 -71.14 -25.66 62.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.946 0.403 . . . . 0.0 110.471 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.36 84.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.361 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.26 -24.66 65.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.282 0.563 . . . . 0.0 110.511 175.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 18.9 m -81.15 -11.53 59.43 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.004 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.49 29.02 17.04 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.355 0.662 . . . . 0.0 110.476 -179.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -86.87 78.88 8.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.604 0.716 . . . . 0.0 109.755 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.604 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 61.1 m-85 -60.37 -23.84 64.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.187 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.89 85.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.208 0.528 . . . . 0.0 110.1 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.73 58.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.716 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.604 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.1 OUTLIER -57.09 -51.14 70.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.031 175.244 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.0 91.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.165 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -47.61 85.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.659 0.266 . . . . 0.0 111.655 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 840' ' ' THR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 843' ' ' ARG . 1.6 m -72.68 -24.96 61.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.741 0.305 . . . . 0.0 111.119 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.25 86.51 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -61.71 -44.34 97.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.46 ' O ' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -55.23 -51.44 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.668 177.456 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.414 ' HA ' HG22 ' A' ' 847' ' ' VAL . 1.1 mm? -67.38 -39.63 85.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.977 -176.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -61.54 -45.01 95.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.124 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.86 -47.17 68.14 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.852 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.703 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 16.9 m -66.17 -40.72 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 117.225 0.512 . . . . 0.0 111.526 -177.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -65.75 -45.8 81.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.01 70.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.235 0.541 . . . . 0.0 110.338 176.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -43.33 76.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.615 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 8.9 mt -77.88 -6.03 52.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.565 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.599 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 2.0 m-80 85.75 9.48 0.3 Allowed 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.1 0.875 . . . . 0.0 110.402 175.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 853' ' ' LEU . 15.5 mt -78.23 81.21 4.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.622 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.509 HG23 HD11 ' A' ' 797' ' ' LEU . 9.6 t -56.67 -56.33 33.69 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.233 -178.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.518 ' HG2' ' OH ' ' A' ' 885' ' ' TYR . 10.5 Cg_endo -56.33 -37.72 96.42 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.323 2.015 . . . . 0.0 113.02 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.48 -50.58 54.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.575 -0.822 . . . . 0.0 111.416 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -38.85 77.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 858' ' ' GLN . . . . . 0.464 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 1.2 tt0 -55.66 -41.8 74.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.837 176.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.2 -44.86 94.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.998 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 3.6 m -62.43 -36.76 83.4 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.951 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 861' ' ' GLU . . . . . 0.464 ' HG3' ' HA ' ' A' ' 858' ' ' GLN . 2.0 mt-10 -62.97 -51.54 66.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.09 0.471 . . . . 0.0 110.553 178.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 862' ' ' THR . . . . . 0.517 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -62.22 -33.29 74.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.77 177.757 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.462 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -61.97 -42.67 99.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.214 175.881 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 864' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 867' ' ' ILE . 46.3 mt-10 -59.46 -42.09 91.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.15 -33.6 76.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.483 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 30.7 mt -72.01 -34.14 68.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.727 0.299 . . . . 0.0 110.519 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 864' ' ' GLU . 11.7 mt -67.3 -45.18 86.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.992 175.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.617 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -60.15 -37.94 81.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.377 177.569 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.617 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.2 OUTLIER -82.27 -13.2 57.4 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.992 -176.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp 65.01 44.66 3.35 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.279 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 871' ' ' ASP . . . . . 0.577 ' O ' HG12 ' A' ' 875' ' ' ILE . 6.0 t70 -100.5 93.09 5.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.394 177.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.663 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 4.1 t -54.11 -52.85 64.9 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.898 -178.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.663 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.4 Cg_exo -54.53 -39.41 88.34 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.234 1.956 . . . . 0.0 112.467 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -62.46 -40.35 98.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.993 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 871' ' ' ASP . 43.9 mm -58.4 -53.15 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.443 0.163 . . . . 0.0 110.82 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -39.5 87.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.599 0.238 . . . . 0.0 110.878 -178.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -66.22 -44.05 84.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.179 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.517 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 2.4 m-85 -75.44 -32.39 60.66 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.303 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 70.8 mt -67.41 -39.11 82.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.255 175.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.2 p -70.12 -30.8 68.09 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.273 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -36.19 72.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.116 0.484 . . . . 0.0 110.351 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -32.53 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.831 173.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 883' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 1.1 t70 -73.29 -45.98 52.39 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.574 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 9.9 p -64.16 -30.4 71.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.11 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 885' ' ' TYR . . . . . 0.518 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 26.2 t80 -60.37 -58.19 9.55 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 122.023 0.916 . . . . 0.0 109.749 174.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.703 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.5 OUTLIER -66.49 -35.67 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.414 -177.246 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 887' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 0.5 OUTLIER -55.23 -47.62 75.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.181 176.16 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 3.5 m -70.89 -31.38 68.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 38.3 mt -69.9 -53.01 19.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.902 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.335 -0.841 . . . . 0.0 110.794 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 775' ' ' MET . . . . . 0.428 ' HG3' ' N ' ' A' ' 776' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 110.44 -0.208 . . . . 0.0 110.44 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 776' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 775' ' ' MET . 0.0 OUTLIER 63.03 47.18 4.35 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.591 0.557 . . . . 0.0 111.563 176.499 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 170.78 -56.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -129.16 100.71 5.72 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.409 -1.269 . . . . 0.0 108.36 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 779' ' ' VAL . . . . . 0.857 HG22 ' HG ' ' A' ' 780' ' ' LEU . 2.1 p -52.74 -71.87 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.204 -177.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 780' ' ' LEU . . . . . 0.857 ' HG ' HG22 ' A' ' 779' ' ' VAL . 0.1 OUTLIER -169.52 -80.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.559 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 781' ' ' GLN . . . . . 0.66 ' H ' HD12 ' A' ' 780' ' ' LEU . 7.1 mp0 -142.84 145.88 33.6 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.638 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 1.1 pt? -63.77 -50.22 69.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.451 0.643 . . . . 0.0 109.527 175.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.638 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -149.72 -90.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 173.6 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.508 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 4.5 mt-10 -151.46 -69.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.113 172.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.409 HG11 ' HG2' ' A' ' 789' ' ' GLN . 0.0 OUTLIER -140.48 86.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.302 176.07 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -75.48 -64.91 0.97 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.07 -176.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 787' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 787' ' ' LEU . 0.6 OUTLIER -100.56 45.79 0.97 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.073 0.463 . . . . 0.0 109.95 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -161.02 172.88 16.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.342 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 789' ' ' GLN . . . . . 0.409 ' HG2' HG11 ' A' ' 785' ' ' VAL . 6.4 mm100 58.45 49.83 10.19 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.64 0.587 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.39 -171.51 2.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.138 178.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -179.17 114.27 0.06 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.434 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 2.6 p -110.86 115.29 49.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.567 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.19 117.91 9.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 794' ' ' GLU . . . . . 0.489 ' O ' ' HD3' ' A' ' 796' ' ' PRO . 0.0 OUTLIER -78.64 130.46 35.9 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 176.692 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.61 101.2 34.93 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-O 120.879 0.371 . . . . 0.0 111.037 -176.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 794' ' ' GLU . 5.2 Cg_exo -79.71 45.13 1.86 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 123.347 2.698 . . . . 0.0 111.837 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 2.3 mt 70.86 -52.78 0.67 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.623 0.769 . . . . 0.0 111.738 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 75.38 10.43 84.47 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.278 -0.487 . . . . 0.0 112.624 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 97.82 21.79 17.7 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.031 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -144.95 91.79 2.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.039 0.447 . . . . 0.0 110.972 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -66.68 -46.48 75.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.673 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.11 -44.28 97.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.257 -177.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.86 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.017 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -62.52 -41.85 99.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.775 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 814' ' ' PHE . 2.0 tp -65.42 -33.88 76.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.689 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -76.58 -36.21 57.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.29 80.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.484 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.37 -13.22 59.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 110.789 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 75.52 16.82 80.4 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.777 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.617 ' HB3' HD22 ' A' ' 851' ' ' LEU . 1.1 m-85 -92.83 10.0 32.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.022 0.439 . . . . 0.0 110.846 -177.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -33.87 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.359 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 812' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -62.27 -43.51 98.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.836 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -36.1 77.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.123 0.487 . . . . 0.0 110.314 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.583 ' HB2' HD11 ' A' ' 805' ' ' LEU . 46.3 t80 -60.0 -46.92 87.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.985 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 23.3 m -87.46 -0.2 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 111.609 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 816' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 9.9 t70 -95.62 -63.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.186 0.517 . . . . 0.0 110.615 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 4.0 m -79.17 -49.33 12.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.654 -172.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.789 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 39.8 t -56.68 -61.18 7.31 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -168.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.789 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.9 Cg_exo -59.72 -40.65 62.43 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.771 1.647 . . . . 0.0 112.144 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.99 -51.36 59.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.994 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.6 -32.82 72.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.727 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 2.2 t -63.14 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.402 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -65.11 -41.56 94.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.391 176.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.1 OUTLIER -65.54 -37.36 86.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.796 0.332 . . . . 0.0 110.114 176.4 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -44.33 83.16 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.904 174.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -56.87 -44.83 82.63 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.463 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 4.2 m -61.92 -45.64 92.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.229 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 5.3 mm-40 -79.64 -25.74 41.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.403 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.15 88.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.587 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.73 -24.43 65.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.259 0.552 . . . . 0.0 110.669 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 45.6 m -83.17 -14.42 53.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.861 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.91 31.99 8.9 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.529 0.681 . . . . 0.0 110.122 -176.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -88.24 74.25 8.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.451 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.573 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 75.8 m-85 -62.53 -26.73 68.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.483 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.66 98.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.303 0.573 . . . . 0.0 109.783 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.12 -36.02 61.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.627 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.5 OUTLIER -60.49 -44.36 96.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.401 176.592 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.47 94.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.51 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -58.7 -47.67 83.73 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.16 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -38.95 68.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.868 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.35 78.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.777 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -69.31 -42.32 75.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -48.49 81.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.318 177.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.541 ' HA ' HG22 ' A' ' 847' ' ' VAL . 8.2 mt -66.01 -44.06 85.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.673 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.495 ' NZ ' ' HA ' ' A' ' 861' ' ' GLU . 27.5 ttmt -54.08 -47.35 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.204 177.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -65.42 -48.52 68.04 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.86 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.753 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 27.3 m -65.61 -44.04 93.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.96 0.38 . . . . 0.0 111.391 -176.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -62.36 -41.07 98.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.3 . . . . 0.0 110.333 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.43 96.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.84 176.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -35.68 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.829 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 19.8 mt -80.48 -11.04 59.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.65 0.262 . . . . 0.0 110.479 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.77 26.65 2.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.626 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.519 HD22 ' HE2' ' A' ' 885' ' ' TYR . 0.4 OUTLIER -87.13 84.34 7.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.56 177.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.657 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 1.8 t -53.39 -59.32 9.62 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -173.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.657 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 32.3 Cg_exo -58.58 -40.02 77.66 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.043 1.829 . . . . 0.0 112.194 -177.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -64.25 -45.13 94.4 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.925 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -36.03 82.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 109.988 178.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -59.75 -44.6 93.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.327 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 863' ' ' LEU . 12.3 mt -59.49 -43.46 93.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.315 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 39.3 m -64.82 -30.39 71.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.045 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 861' ' ' GLU . . . . . 0.495 ' HA ' ' NZ ' ' A' ' 845' ' ' LYS . 9.7 mm-40 -66.07 -53.86 32.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.526 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 862' ' ' THR . . . . . 0.494 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -64.83 -38.84 92.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.847 178.788 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.597 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.5 OUTLIER -57.94 -49.39 76.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.734 0.302 . . . . 0.0 110.548 177.031 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -45.62 75.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.535 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 865' ' ' HIS . . . . . 0.448 ' O ' ' HG2' ' A' ' 869' ' ' GLU . 3.1 t60 -64.62 -38.18 90.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.688 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 866' ' ' LEU . . . . . 0.578 HD22 ' HA3' ' A' ' 874' ' ' GLY . 12.9 mt -66.98 -30.31 70.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.889 0.376 . . . . 0.0 110.763 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.604 ' HA ' HD11 ' A' ' 875' ' ' ILE . 33.5 mt -73.66 -39.26 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.523 ' HD2' ' OE2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.3 -36.39 81.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.391 177.482 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.523 ' OE2' ' HD2' ' A' ' 868' ' ' ARG . 77.3 mm-40 -79.52 -10.56 59.82 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.37 177.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm 61.82 42.87 10.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.992 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.58 94.57 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.86 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.494 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.3 t -55.77 -53.94 57.34 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.597 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 9.9 Cg_endo -52.45 -45.02 42.65 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.42 2.08 . . . . 0.0 112.768 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 874' ' ' GLY . . . . . 0.578 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -62.93 -43.95 98.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.933 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 867' ' ' ILE . 59.1 mt -59.38 -48.26 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.624 0.249 . . . . 0.0 110.626 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -57.64 -52.35 65.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.295 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -58.64 -43.33 89.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.168 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.597 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 8.4 m-85 -71.09 -38.17 72.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.798 -176.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.87 -45.36 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.412 . . . . 0.0 109.915 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 10.6 m -65.97 -29.26 69.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.13 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -32.24 66.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.039 0.447 . . . . 0.0 110.256 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 17.7 mt -73.32 -32.7 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.215 0.531 . . . . 0.0 109.948 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.79 -41.96 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.2 p -70.06 -30.5 67.77 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.042 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 885' ' ' TYR . . . . . 0.519 ' HE2' HD22 ' A' ' 853' ' ' LEU . 16.9 t80 -59.55 -58.57 8.01 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.838 0.827 . . . . 0.0 110.312 177.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.556 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 8.3 p -68.5 -31.83 52.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.915 -174.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -65.3 -39.23 92.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.01 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 5.4 p -83.52 -19.61 35.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.941 0.401 . . . . 0.0 110.842 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.26 -11.34 38.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.56 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 24.5 mt . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.574 -0.727 . . . . 0.0 111.015 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 775' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 775' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 121.534 0.683 . . . . 0.0 110.542 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.47 -30.84 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.036 -0.415 . . . . 0.0 111.996 -174.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -101.95 9.78 40.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.09 0.472 . . . . 0.0 111.588 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -147.39 -67.42 0.26 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.445 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 779' ' ' VAL . . . . . 0.418 ' HB ' ' H ' ' A' ' 780' ' ' LEU . 3.5 t 60.97 -97.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.273 -176.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 780' ' ' LEU . . . . . 0.418 ' H ' ' HB ' ' A' ' 779' ' ' VAL . 0.3 OUTLIER -161.28 -69.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 176.724 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -165.47 176.58 8.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 174.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.829 ' HG ' HG12 ' A' ' 783' ' ' ILE . 15.2 tp -103.9 -72.88 0.69 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.829 HG12 ' HG ' ' A' ' 782' ' ' LEU . 2.1 pt -146.67 31.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.483 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 783' ' ' ILE . 1.5 tt0 76.77 -53.61 0.58 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.793 -177.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.649 HG11 ' HB2' ' A' ' 789' ' ' GLN . 0.0 OUTLIER -110.11 85.7 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.8 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 786' ' ' GLN . . . . . 0.595 ' HA ' HD23 ' A' ' 782' ' ' LEU . 2.9 mt-30 -49.2 -47.96 45.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.644 -1.162 . . . . 0.0 112.728 -173.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 10.0 tp -105.21 -62.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.502 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -159.02 173.01 17.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.14 0.495 . . . . 0.0 111.698 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 789' ' ' GLN . . . . . 0.649 ' HB2' HG11 ' A' ' 785' ' ' VAL . 0.2 OUTLIER -137.7 144.92 41.99 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.088 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.413 ' N ' ' HG2' ' A' ' 789' ' ' GLN . 0.0 OUTLIER -63.01 178.02 0.52 Allowed 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.617 0.722 . . . . 0.0 111.79 -178.524 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.56 -123.55 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.676 -174.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -62.99 121.34 11.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.364 0.602 . . . . 0.0 112.099 -174.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.48 137.71 53.0 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 794' ' ' GLU . . . . . 0.559 ' CD ' ' H ' ' A' ' 794' ' ' GLU . 2.1 mp0 -48.85 122.34 5.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 123.71 0.631 . . . . 0.0 111.044 -178.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 795' ' ' SER . . . . . 0.676 ' H ' ' HD2' ' A' ' 796' ' ' PRO . 0.0 OUTLIER -123.89 -52.1 0.03 OUTLIER Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.277 -175.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.676 ' HD2' ' H ' ' A' ' 795' ' ' SER . 92.5 Cg_endo -77.36 175.8 10.86 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.146 1.897 . . . . 0.0 112.954 -177.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.547 ' HA ' ' HB2' ' A' ' 804' ' ' GLN . 0.7 OUTLIER -66.8 -43.3 84.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.119 177.372 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 74.78 -81.83 0.86 Allowed Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.102 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -160.15 26.15 0.31 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 800' ' ' ASP . . . . . 0.538 ' HB3' ' HB3' ' A' ' 803' ' ' ALA . 4.9 t70 -153.27 102.81 2.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.212 0.53 . . . . 0.0 110.026 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.483 ' HG3' HD11 ' A' ' 889' ' ' LEU . 0.0 OUTLIER -64.65 -47.02 80.02 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.592 -178.42 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.27 -47.09 79.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.663 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 803' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 800' ' ' ASP . . . -58.68 -49.91 75.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.172 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 804' ' ' GLN . . . . . 0.547 ' HB2' ' HA ' ' A' ' 797' ' ' LEU . 0.0 OUTLIER -60.43 -43.95 96.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.946 0.403 . . . . 0.0 110.213 178.554 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -62.19 -45.21 94.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.03 -175.849 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -80.09 -15.56 56.89 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.915 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.74 75.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.699 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -18.74 59.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.019 0.438 . . . . 0.0 110.83 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 89.05 32.31 10.89 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.288 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.747 ' HB3' HD22 ' A' ' 851' ' ' LEU . 15.6 m-85 -100.53 11.05 40.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.815 0.341 . . . . 0.0 110.779 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.451 ' HD1' ' HA ' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -57.37 -41.68 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.876 -178.444 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.8 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.504 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -31.18 62.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.417 . . . . 0.0 110.487 -177.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.618 ' CE1' HG22 ' A' ' 886' ' ' VAL . 33.9 t80 -61.41 -52.58 64.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.002 -178.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.8 m -80.22 -2.12 5.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.844 0.354 . . . . 0.0 111.425 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -93.26 -65.37 1.0 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.045 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.07 -41.94 21.81 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -169.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.683 HG11 HG21 ' A' ' 886' ' ' VAL . 6.7 t -63.43 -57.76 18.64 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -168.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.674 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.4 Cg_exo -53.89 -42.8 63.63 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.162 1.908 . . . . 0.0 112.966 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.417 ' HA ' ' HB2' ' A' ' 823' ' ' LYS . 0.2 OUTLIER -83.19 -27.28 30.12 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.672 -175.811 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.91 -38.42 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.56 -38.91 83.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.776 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 823' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 826' ' ' TYR . 0.1 OUTLIER -54.83 -49.36 71.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.529 172.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -39.59 94.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.484 HD23 HD12 ' A' ' 837' ' ' LEU . 0.6 OUTLIER -55.05 -43.59 73.92 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.12 0.486 . . . . 0.0 109.817 174.171 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 823' ' ' LYS . 3.9 m-85 -60.51 -42.7 96.94 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.571 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 1.9 m -70.41 -45.06 66.65 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.463 -176.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.84 -28.02 62.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.497 -177.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.99 91.64 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.47 91.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.155 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.75 -9.09 59.6 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.871 0.367 . . . . 0.0 111.286 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.5 m 64.96 28.89 12.51 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.587 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -85.65 75.11 10.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 173.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 834' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -61.53 -29.85 70.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.124 -174.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.1 95.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.136 0.493 . . . . 0.0 109.879 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.47 -36.15 53.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.817 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.566 HD21 HG21 ' A' ' 875' ' ' ILE . 16.7 tp -56.33 -48.04 77.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.295 176.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.21 85.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.664 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -60.29 -45.99 91.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 840' ' ' THR . . . . . 0.429 ' HB ' ' HG ' ' A' ' 825' ' ' LEU . 0.2 OUTLIER -65.81 -35.19 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.333 . . . . 0.0 111.066 177.394 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.34 -34.72 78.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.99 0.424 . . . . 0.0 110.212 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 842' ' ' HIS . . . . . 0.537 ' HA ' ' CD ' ' A' ' 845' ' ' LYS . 1.8 t60 -66.83 -40.91 88.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.226 175.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.459 ' O ' HG22 ' A' ' 847' ' ' VAL . 0.5 OUTLIER -60.24 -47.46 85.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.968 175.202 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 844' ' ' LEU . 3.0 mt -62.15 -48.96 77.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.613 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.537 ' CD ' ' HA ' ' A' ' 842' ' ' HIS . 7.6 ptmt -62.28 -31.06 71.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.56 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -71.16 -48.8 30.0 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.415 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.705 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 13.4 m -67.89 -40.64 83.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.66 0.23 . . . . 0.0 111.103 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.427 ' HD1' ' HB2' ' A' ' 853' ' ' LEU . 13.2 m-85 -60.66 -46.73 89.24 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.69 76.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.974 0.416 . . . . 0.0 110.895 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.3 ttt -67.16 -43.66 81.7 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.747 HD22 ' HB3' ' A' ' 810' ' ' TYR . 8.6 mt -78.71 -8.47 58.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.675 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 78.9 26.04 0.48 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.948 0.78 . . . . 0.0 110.391 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.427 ' HB2' ' HD1' ' A' ' 848' ' ' PHE . 77.9 mt -88.66 78.62 7.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.434 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.517 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.3 OUTLIER -54.09 -56.56 24.71 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 115.181 -0.918 . . . . 0.0 113.196 -172.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.517 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 49.6 Cg_exo -56.43 -41.87 71.6 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.048 1.832 . . . . 0.0 112.231 -178.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 856' ' ' GLY . . . . . 0.427 ' HA2' HD12 ' A' ' 859' ' ' LEU . . . -63.31 -45.48 95.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.966 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -63.23 -39.31 94.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.738 0.304 . . . . 0.0 110.428 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -43.64 95.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.422 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.427 HD12 ' HA2' ' A' ' 856' ' ' GLY . 31.4 mt -60.21 -41.74 93.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.433 ' HA ' ' HB2' ' A' ' 863' ' ' LEU . 35.5 m -68.87 -25.69 64.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.321 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 861' ' ' GLU . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 845' ' ' LYS . 8.8 mm-40 -65.66 -53.44 41.15 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.229 0.538 . . . . 0.0 109.651 175.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -37.39 86.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.829 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.616 HD11 HG12 ' A' ' 879' ' ' ILE . 0.1 OUTLIER -54.05 -53.03 58.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.653 176.468 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.35 -42.99 78.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.571 179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -59.27 -44.64 92.44 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 15.1 mt -66.77 -32.39 73.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.588 ' HA ' HD11 ' A' ' 875' ' ' ILE . 32.6 mt -77.19 -36.73 24.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.552 0.692 . . . . 0.0 109.255 -178.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.02 -36.75 85.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.708 178.044 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 21.2 pt-20 -90.25 -1.93 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.051 0.453 . . . . 0.0 110.635 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.36 43.4 13.51 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.923 176.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -94.08 92.57 7.37 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.664 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 17.6 t -55.47 -54.63 48.98 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.471 -174.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.664 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 55.6 Cg_exo -52.93 -45.17 42.83 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.443 2.096 . . . . 0.0 112.695 -178.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -66.68 -38.24 93.05 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.137 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 867' ' ' ILE . 65.5 mt -57.46 -58.37 6.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.527 0.203 . . . . 0.0 110.75 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -34.96 79.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.861 -177.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -47.84 83.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.656 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -71.13 -37.67 72.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.833 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.616 HG12 HD11 ' A' ' 863' ' ' LEU . 55.1 mt -62.39 -44.48 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.851 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 22.3 p -68.8 -30.9 69.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.753 0.311 . . . . 0.0 110.407 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -38.79 71.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.573 177.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 882' ' ' ILE . . . . . 0.448 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 67.8 mt -65.27 -33.09 61.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.476 0.655 . . . . 0.0 109.878 173.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 883' ' ' ASP . . . . . 0.552 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 4.5 t70 -71.8 -48.1 48.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.354 -177.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 7.4 p -66.4 -33.19 75.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.11 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 885' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 50.9 t80 -51.81 -57.28 9.76 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.382 1.087 . . . . 0.0 109.386 173.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.683 HG21 HG11 ' A' ' 818' ' ' VAL . 1.1 t -65.21 -31.72 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 CA-C-N 113.041 -1.89 . . . . 0.0 110.895 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 887' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 6.8 mmtp -56.97 -48.67 77.84 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.775 176.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -26.39 60.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 889' ' ' LEU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 814' ' ' PHE . 0.2 OUTLIER -79.2 -16.13 57.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.762 -178.455 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 56.6 mt . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.835 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.897 0.38 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 776' ' ' GLN . . . . . 0.503 ' OE1' ' HA ' ' A' ' 776' ' ' GLN . 0.7 OUTLIER -164.94 128.97 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.175 175.67 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 73.11 19.09 3.72 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.276 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -166.3 -52.71 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.844 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 779' ' ' VAL . . . . . 0.706 HG12 ' HG ' ' A' ' 780' ' ' LEU . 46.0 t 67.52 -82.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.426 175.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 780' ' ' LEU . . . . . 0.706 ' HG ' HG12 ' A' ' 779' ' ' VAL . 10.6 mt -120.59 107.61 13.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.61 0.243 . . . . 0.0 110.419 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 781' ' ' GLN . . . . . 0.446 ' HB2' ' H ' ' A' ' 782' ' ' LEU . 0.2 OUTLIER 56.35 -111.43 0.62 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.137 177.292 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.754 ' HG ' ' N ' ' A' ' 783' ' ' ILE . 0.3 OUTLIER 171.82 -38.84 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 -172.03 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.754 ' N ' ' HG ' ' A' ' 782' ' ' LEU . 1.2 tt -170.17 -179.56 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.406 -2.675 0 CA-C-N 112.512 -2.131 . . . . 0.0 105.557 -176.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -71.68 0.46 Allowed 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 75.5 t -145.91 94.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 786' ' ' GLN . . . . . 0.481 ' HB3' HG21 ' A' ' 783' ' ' ILE . 8.4 pm0 -76.75 139.63 40.49 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.59 -176.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 787' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 786' ' ' GLN . 0.0 OUTLIER 77.38 -47.49 0.5 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.364 172.423 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -77.96 -3.15 40.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -173.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -83.76 41.24 0.78 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -145.83 138.37 25.63 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 175.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.65 162.71 27.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.15 -177.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.96 155.53 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.759 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 13.5 t -136.01 125.79 25.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.098 0.475 . . . . 0.0 111.067 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.54 139.84 5.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.23 175.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 795' ' ' SER . . . . . 0.415 ' N ' ' HD3' ' A' ' 796' ' ' PRO . 0.0 OUTLIER -148.47 65.4 8.53 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.601 175.619 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 795' ' ' SER . 86.9 Cg_endo -98.31 -148.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.362 2.708 . . . . 0.0 111.729 178.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.574 ' H ' HD22 ' A' ' 797' ' ' LEU . 1.8 mm? -71.94 97.83 1.92 Allowed 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 174.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -122.4 41.57 1.8 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.824 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 108.15 -18.6 33.4 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.183 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -125.63 98.8 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.153 0.501 . . . . 0.0 110.406 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -74.85 -33.6 62.14 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.643 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -43.24 99.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.48 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.79 88.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.003 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -41.21 78.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.515 HD21 ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -62.88 -31.92 73.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.267 0.556 . . . . 0.0 110.343 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -43.28 76.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.454 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -69.07 -26.52 64.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.851 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.84 -11.77 56.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.432 . . . . 0.0 110.944 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 80.49 13.95 80.84 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.398 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.461 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.1 OUTLIER -89.81 -0.28 57.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.146 0.498 . . . . 0.0 110.118 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.515 ' HD1' HD21 ' A' ' 805' ' ' LEU . 59.5 t80 -64.33 -24.31 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.764 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -61.64 -48.65 79.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.004 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -39.59 94.74 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.215 0.531 . . . . 0.0 110.186 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.43 -48.33 71.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.505 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 815' ' ' VAL . . . . . 0.471 HG12 HD22 ' A' ' 890' ' ' LEU . 34.8 m -93.57 12.02 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.976 0.417 . . . . 0.0 111.435 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -106.59 -59.11 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.68 -40.33 10.79 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.844 HG11 HG21 ' A' ' 886' ' ' VAL . 21.5 t -59.78 -55.52 44.92 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -169.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.629 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.4 Cg_exo -55.7 -49.14 16.8 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.852 1.701 . . . . 0.0 112.648 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 824' ' ' ARG . 26.1 t70 -61.19 -39.78 91.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.874 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.83 -32.21 63.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.464 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 11.5 t -61.8 -51.04 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.812 0.339 . . . . 0.0 110.197 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 823' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 820' ' ' ASP . 0.9 OUTLIER -70.58 -25.32 63.02 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.15 177.832 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -65.44 -46.49 79.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.873 174.145 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.432 HD23 HD23 ' A' ' 837' ' ' LEU . 5.9 mt -56.01 -42.64 76.76 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.258 176.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -58.98 -40.7 85.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.591 175.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 19.7 m -66.17 -45.12 82.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.875 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 5.0 mm-40 -66.2 -33.32 75.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.398 . . . . 0.0 110.329 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 829' ' ' ALA . . . . . 0.647 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -67.79 -32.48 73.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.497 177.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.53 90.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.264 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.29 -4.41 41.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.284 177.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 56.46 32.15 20.18 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.572 0.749 . . . . 0.0 110.225 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -92.76 76.03 4.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.554 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.572 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 86.1 m-85 -58.31 -29.04 65.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.88 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.33 88.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.329 0.585 . . . . 0.0 110.164 176.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.72 -36.49 50.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.647 HD11 ' HA ' ' A' ' 829' ' ' ALA . 0.7 OUTLIER -55.1 -48.35 73.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.979 173.704 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 838' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 842' ' ' HIS . . . -63.62 -37.84 88.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.2 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -62.27 -48.21 80.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.904 0.383 . . . . 0.0 110.615 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.0 m -63.24 -46.38 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.861 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.61 73.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.996 0.427 . . . . 0.0 111.067 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 842' ' ' HIS . . . . . 0.447 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 8.1 t60 -67.92 -39.63 83.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.993 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -32.56 71.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.171 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.518 ' HA ' HG22 ' A' ' 847' ' ' VAL . 7.0 mt -68.17 -39.95 82.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.257 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.568 ' HE2' ' HA ' ' A' ' 861' ' ' GLU . 84.6 mttt -50.12 -53.8 24.96 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.177 0.513 . . . . 0.0 110.021 171.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -59.53 -45.85 94.91 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 114.839 -1.073 . . . . 0.0 113.29 -176.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.652 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 20.2 m -71.13 -38.24 70.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 117.28 0.54 . . . . 0.0 111.663 -176.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -67.84 -42.77 80.89 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -65.44 -29.1 69.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.147 0.499 . . . . 0.0 110.322 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 850' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 5.0 ttm -64.02 -43.27 96.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.701 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -84.23 -9.46 58.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.389 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.43 35.08 2.07 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.938 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.67 89.72 7.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.45 -1.25 . . . . 0.0 109.101 175.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.998 HG13 ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -58.91 -51.48 81.6 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.486 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.998 ' HD3' HG13 ' A' ' 854' ' ' VAL . 29.4 Cg_exo -61.09 -39.59 58.34 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 121.672 1.581 . . . . 0.0 112.267 -176.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -64.43 -48.45 73.68 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.203 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.45 -35.35 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -57.76 -44.85 86.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.146 0.498 . . . . 0.0 110.364 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 863' ' ' LEU . 19.7 mt -62.22 -43.68 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.481 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 38.8 m -62.92 -33.39 75.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.358 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 861' ' ' GLU . . . . . 0.568 ' HA ' ' HE2' ' A' ' 845' ' ' LYS . 1.9 mm-40 -67.82 -53.66 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.692 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 862' ' ' THR . . . . . 0.546 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -63.26 -32.61 74.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.958 178.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.635 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -60.34 -48.28 82.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.412 175.841 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 864' ' ' GLU . . . . . 0.511 ' HA ' HD12 ' A' ' 867' ' ' ILE . 0.9 OUTLIER -61.47 -34.98 76.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.714 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -63.3 -43.51 97.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.895 0.379 . . . . 0.0 110.231 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 15.0 mt -65.41 -31.15 72.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.915 0.388 . . . . 0.0 110.399 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.6 ' HA ' HD11 ' A' ' 875' ' ' ILE . 57.4 mt -72.04 -41.73 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.534 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 868' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -27.89 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.82 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 869' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -88.08 -7.05 57.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.286 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.33 37.21 25.94 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.14 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -91.58 86.39 6.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.895 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 876' ' ' GLU . 0.7 OUTLIER -52.96 -55.2 35.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.757 -173.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.4 Cg_endo -55.69 -38.14 94.63 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.409 2.073 . . . . 0.0 112.158 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.46 -41.79 90.11 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.615 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 867' ' ' ILE . 52.7 mt -61.89 -55.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.791 -0.205 . . . . 0.0 110.851 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 876' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 6.8 pt-20 -59.82 -38.49 82.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.974 -176.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -37.16 85.29 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.844 0.354 . . . . 0.0 110.747 178.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.635 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -71.65 -34.74 70.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.639 0.257 . . . . 0.0 110.686 179.673 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 875' ' ' ILE . 50.4 mt -63.6 -41.34 92.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 176.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -28.95 66.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.905 0.383 . . . . 0.0 110.44 178.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.84 -35.92 75.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.456 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 7.1 mt -69.97 -33.39 55.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.388 0.614 . . . . 0.0 109.586 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -69.85 -43.52 71.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.373 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.8 p -69.98 -36.69 75.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.176 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -54.61 -58.28 8.14 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 122.473 1.13 . . . . 0.0 109.878 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.844 HG21 HG11 ' A' ' 818' ' ' VAL . 1.0 OUTLIER -68.68 -32.29 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.235 -176.67 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -55.93 -42.47 76.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.234 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.27 -19.53 24.0 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.37 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -10.56 56.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.58 0.229 . . . . 0.0 111.524 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 86.2 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.505 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 20.7 ptp . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 76.7 -51.67 0.58 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.54 0.736 . . . . 0.0 111.308 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.475 ' HG3' ' H ' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -69.91 -38.66 76.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.324 0.583 . . . . 0.0 109.79 175.461 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -120.09 53.44 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.891 174.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 7.4 p -92.7 143.09 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.623 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.28 173.16 15.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.037 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.27 164.19 16.01 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.714 ' HB3' ' HA ' ' A' ' 786' ' ' GLN . 19.9 tp -83.34 90.3 7.14 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 174.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.547 HG22 ' HG2' ' A' ' 784' ' ' GLU . 3.2 mt 67.39 -71.4 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.218 -173.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.564 ' HG3' HG22 ' A' ' 785' ' ' VAL . 18.4 pt-20 -162.78 -15.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.849 176.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.811 HG12 ' HB2' ' A' ' 789' ' ' GLN . 0.2 OUTLIER -146.32 105.26 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -177.207 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 786' ' ' GLN . . . . . 0.714 ' HA ' ' HB3' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -75.26 35.0 0.11 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.553 -174.713 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 787' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 786' ' ' GLN . 0.2 OUTLIER 170.36 -82.05 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 123.332 0.653 . . . . 0.0 109.686 178.586 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -174.19 56.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.301 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 789' ' ' GLN . . . . . 0.811 ' HB2' HG12 ' A' ' 785' ' ' VAL . 9.5 mp0 -66.15 -28.63 68.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.517 -172.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -132.83 169.57 16.54 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.706 0.765 . . . . 0.0 111.506 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -145.74 -165.12 2.11 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.074 -1.421 . . . . 0.0 107.424 176.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.78 119.74 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 169.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.58 38.69 3.56 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.423 0.63 . . . . 0.0 110.721 -178.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -123.32 -62.08 1.36 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.82 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 53.23 71.06 1.52 Allowed Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.68 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.47 -28.44 77.86 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.462 2.108 . . . . 0.0 111.378 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.69 64.66 1.42 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.221 176.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -83.17 54.89 5.01 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.229 -176.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -111.41 -111.18 3.21 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.858 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -106.11 -23.91 12.49 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -172.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.476 ' HB3' HD21 ' A' ' 853' ' ' LEU . 0.0 OUTLIER -48.79 -57.11 6.86 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -172.776 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -72.73 -43.17 63.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -176.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.16 84.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.518 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.63 -47.47 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.83 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.576 ' HA ' ' HE1' ' A' ' 810' ' ' TYR . 0.0 OUTLIER -62.04 -36.49 81.75 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -177.715 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -71.53 -40.85 69.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.758 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.63 86.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.578 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 12.6 m -68.5 -19.76 64.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 111.133 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 93.66 -2.01 69.53 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.689 -0.767 . . . . 0.0 114.473 168.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.576 ' HE1' ' HA ' ' A' ' 805' ' ' LEU . 0.2 OUTLIER -91.05 39.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.885 0.842 . . . . 0.0 110.958 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -67.22 -26.93 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.405 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.22 77.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.196 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 18.9 mt -59.34 -32.0 69.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.09 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.539 ' O ' ' HD3' ' A' ' 819' ' ' PRO . 30.9 t80 -63.47 -30.94 71.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.847 -176.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.44 -25.13 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.517 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.25 -52.02 10.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.284 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.76 -46.81 4.81 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 -172.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.71 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 95.0 t -53.83 -56.82 21.42 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -172.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.71 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 38.8 Cg_exo -61.65 -33.73 85.71 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.209 1.94 . . . . 0.0 111.977 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -70.09 -38.91 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.2 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -37.55 82.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.627 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 818' ' ' VAL . 92.2 t -62.8 -43.37 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.154 0.502 . . . . 0.0 109.813 174.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 823' ' ' LYS . . . . . 0.512 ' HB3' ' HE3' ' A' ' 823' ' ' LYS . 15.7 ttpp -64.65 -38.07 89.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.004 175.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -60.73 -42.29 97.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.227 176.352 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.596 HD23 HD12 ' A' ' 837' ' ' LEU . 4.1 mt -55.71 -45.69 77.84 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 174.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -60.76 -36.64 79.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.803 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 7.2 m -70.11 -42.04 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.737 -175.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.505 ' HB2' HD13 ' A' ' 837' ' ' LEU . 47.8 mm-40 -78.61 -27.64 45.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.854 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 829' ' ' ALA . . . . . 0.539 ' HA ' HD21 ' A' ' 837' ' ' LEU . . . -69.59 -29.64 67.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.074 173.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.74 79.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.808 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.43 -10.98 53.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.166 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 65.4 29.38 11.42 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.5 0.667 . . . . 0.0 110.115 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -84.93 78.47 9.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.272 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.755 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 52.2 m-85 -57.85 -27.64 63.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.482 -178.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.19 93.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.226 0.536 . . . . 0.0 109.882 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 836' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' A' ' 839' ' ' GLN . . . -79.1 -29.35 43.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.748 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.755 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.0 OUTLIER -60.4 -46.57 89.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.039 173.828 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.35 97.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.458 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 839' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 836' ' ' ALA . 6.5 mm100 -60.68 -47.62 85.45 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.014 176.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 840' ' ' THR . . . . . 0.441 ' CG2' ' HG ' ' A' ' 825' ' ' LEU . 6.0 m -69.01 -38.18 79.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.26 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.32 82.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.162 0.506 . . . . 0.0 109.873 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -70.73 -37.55 73.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.342 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -48.06 81.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.27 177.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 844' ' ' LEU . 1.9 mt -66.35 -41.11 90.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -56.73 -45.9 81.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.931 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.25 -48.11 66.8 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.997 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.566 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 23.7 m -68.26 -36.86 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 117.354 0.577 . . . . 0.0 111.329 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.69 -38.3 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.05 -32.68 74.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.085 0.469 . . . . 0.0 110.328 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -37.47 74.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.582 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 73.1 mt -80.23 -8.49 59.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.157 175.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 68.25 27.01 6.79 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.559 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' A' ' 801' ' ' GLU . 0.9 OUTLIER -85.66 93.23 8.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.768 179.649 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.648 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 1.7 t -54.06 -58.26 14.35 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -174.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 47.9 Cg_exo -56.88 -42.44 64.51 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.892 1.728 . . . . 0.0 112.154 -178.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.02 -43.21 93.93 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.059 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 857' ' ' LYS . . . . . 0.614 ' HD3' ' HA ' ' A' ' 854' ' ' VAL . 0.0 OUTLIER -66.09 -38.94 89.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.712 0.291 . . . . 0.0 110.435 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 858' ' ' GLN . . . . . 0.492 ' N ' ' HG2' ' A' ' 857' ' ' LYS . 33.9 tt0 -65.46 -38.87 91.09 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.607 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -47.5 85.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.01 176.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 57.0 m -64.4 -36.32 83.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.499 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.0 -49.93 75.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.314 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 862' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.7 m -68.4 -35.27 77.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.852 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.575 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -60.13 -45.15 93.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.764 0.316 . . . . 0.0 110.213 175.497 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -37.22 81.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.527 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 865' ' ' HIS . . . . . 0.759 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 4.1 t60 -63.66 -33.89 76.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.328 174.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 866' ' ' LEU . . . . . 0.538 HD22 ' HA3' ' A' ' 874' ' ' GLY . 11.3 mt -74.57 -33.34 62.66 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 122.132 -0.355 . . . . 0.0 110.314 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.694 HD12 ' HB3' ' A' ' 837' ' ' LEU . 19.1 mm -66.83 -47.58 82.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.05 174.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.759 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -62.23 -34.68 76.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.705 179.115 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.596 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.8 OUTLIER -88.77 -2.73 58.74 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.408 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 870' ' ' LYS . . . . . 0.408 ' HD2' ' O ' ' A' ' 867' ' ' ILE . 2.2 mptm? 54.12 48.96 19.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.801 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -105.6 96.04 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.714 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.749 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 11.9 t -53.77 -56.98 19.65 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.445 -175.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.749 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.7 Cg_exo -54.34 -45.14 43.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 122.23 1.953 . . . . 0.0 112.42 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 874' ' ' GLY . . . . . 0.538 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -65.51 -41.3 96.32 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.262 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.521 ' O ' HG13 ' A' ' 879' ' ' ILE . 59.6 mt -56.11 -59.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.412 0.148 . . . . 0.0 110.965 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 876' ' ' GLU . . . . . 0.551 ' HA ' HD12 ' A' ' 879' ' ' ILE . 10.9 pt-20 -66.53 -34.47 77.98 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.111 -176.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 877' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -59.43 -41.31 89.27 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.934 0.397 . . . . 0.0 110.517 177.503 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.575 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 2.5 m-85 -73.96 -32.32 63.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 876' ' ' GLU . 64.7 mt -60.94 -41.69 89.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 1.5 m -63.15 -36.23 82.93 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.655 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.86 -39.96 87.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.819 0.342 . . . . 0.0 110.638 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 94.9 mt -68.57 -33.93 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.129 0.49 . . . . 0.0 110.208 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 883' ' ' ASP . . . . . 0.508 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 0.0 OUTLIER -72.67 -42.09 64.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.63 -177.21 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.5 p -66.44 -33.22 75.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.743 176.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 885' ' ' TYR . . . . . 0.445 ' HE2' HD13 ' A' ' 853' ' ' LEU . 36.0 t80 -62.03 -58.11 9.09 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 122.503 1.144 . . . . 0.0 110.157 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.74 -31.41 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-N 113.637 -1.62 . . . . 0.0 110.743 -176.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 887' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 7.4 mtpt -69.72 -28.91 66.21 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.781 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 61.8 m -75.27 -28.74 59.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.473 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.15 -58.85 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.262 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--O 1.246 0.885 0 CA-C-O 119.104 -0.474 . . . . 0.0 111.199 -175.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 3.4 tmm? . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -144.58 -63.72 0.36 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.745 0.307 . . . . 0.0 110.747 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -95.42 -41.31 9.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 111.377 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -101.8 74.99 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.088 0.47 . . . . 0.0 110.807 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -44.5 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.042 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 3.2 mt -135.04 -171.46 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.575 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 781' ' ' GLN . . . . . 0.44 ' HB3' ' H ' ' A' ' 782' ' ' LEU . 4.5 mp0 -116.66 -147.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.312 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 1.046 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 0.5 OUTLIER -139.92 -75.81 0.34 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.325 0.583 . . . . 0.0 109.617 -178.006 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 1.046 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 0.1 OUTLIER -130.45 98.47 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 173.017 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -54.48 -32.8 58.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.305 0.574 . . . . 0.0 110.11 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.76 52.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.383 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 786' ' ' GLN . . . . . 0.649 ' HA ' ' HB ' ' A' ' 783' ' ' ILE . 2.1 pt20 -40.07 -71.36 0.08 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 114.514 -1.221 . . . . 0.0 113.853 -171.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.4 -1.73 30.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.683 -171.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -143.01 102.29 3.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.833 0.349 . . . . 0.0 111.207 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 789' ' ' GLN . . . . . 0.495 ' HB2' ' H ' ' A' ' 790' ' ' GLU . 0.0 OUTLIER -99.76 -109.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.294 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.495 ' H ' ' HB2' ' A' ' 789' ' ' GLN . 3.4 pt-20 -102.83 155.98 17.97 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 171.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -132.27 93.96 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.939 0.4 . . . . 0.0 110.65 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 1.3 m -82.29 48.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.129 0.49 . . . . 0.0 111.42 -177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.58 31.53 2.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.375 0.607 . . . . 0.0 110.292 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.69 172.48 7.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.744 -177.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 795' ' ' SER . . . . . 0.47 ' HA ' ' HD2' ' A' ' 796' ' ' PRO . 0.6 OUTLIER 70.21 101.81 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.244 0 O-C-N 123.814 0.696 . . . . 0.0 111.784 176.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.47 ' HD2' ' HA ' ' A' ' 795' ' ' SER . 16.3 Cg_endo -59.18 167.22 6.16 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.742 2.295 . . . . 0.0 111.742 172.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.755 HD22 ' HA ' ' A' ' 801' ' ' GLU . 0.1 OUTLIER -75.4 -118.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -175.369 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 798' ' ' GLY . . . . . 0.458 ' H ' ' HB2' ' A' ' 797' ' ' LEU . . . 87.31 49.01 4.1 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.346 -177.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 159.35 -58.7 0.32 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.203 -0.522 . . . . 0.0 112.106 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -117.87 82.77 1.89 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.217 0.532 . . . . 0.0 110.262 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.755 ' HA ' HD22 ' A' ' 797' ' ' LEU . 11.4 mp0 -84.1 -22.82 31.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.334 177.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 802' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 806' ' ' HIS . 0.0 OUTLIER -62.36 -33.87 75.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.826 -177.734 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.37 73.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.343 . . . . 0.0 111.225 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -39.59 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.491 -177.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 814' ' ' PHE . 0.1 OUTLIER -64.42 -33.69 76.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.655 178.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 802' ' ' ASN . 3.1 t-160 -74.49 -44.64 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.582 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.04 76.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.834 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 3.1 p -80.21 -6.07 57.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.765 0.317 . . . . 0.0 111.134 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 76.39 12.27 84.4 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.574 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.443 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.3 OUTLIER -80.49 -8.41 59.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.891 0.377 . . . . 0.0 110.514 -178.439 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -55.46 -37.91 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.978 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.98 94.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.845 177.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -37.06 83.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.228 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 805' ' ' LEU . 88.7 t80 -63.78 -53.86 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.862 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.79 -17.13 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -175.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -74.84 -65.38 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -95.87 -36.89 10.95 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -171.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.654 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 64.4 t -58.1 -56.79 31.3 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -169.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.654 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 31.6 Cg_exo -59.4 -41.98 53.08 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.922 1.748 . . . . 0.0 112.55 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.927 ' HA ' ' HD3' ' A' ' 823' ' ' LYS . 0.5 OUTLIER -73.48 -34.31 65.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.751 -177.814 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -35.27 80.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 175.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.595 ' HA ' HD12 ' A' ' 825' ' ' LEU . 49.9 t -63.9 -46.57 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.992 177.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 823' ' ' LYS . . . . . 0.927 ' HD3' ' HA ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -70.24 -26.11 63.69 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.348 178.335 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -68.47 -38.08 80.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 172.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 822' ' ' VAL . 4.0 mt -60.57 -41.22 94.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 172.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.835 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 17.0 m-85 -55.1 -42.55 73.06 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.023 173.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 6.0 m -66.6 -45.26 79.76 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.621 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.9 77.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.227 -177.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.87 82.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.819 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.15 -26.88 66.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.513 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.86 1.05 52.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.548 0.213 . . . . 0.0 111.338 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.2 m 62.11 32.23 17.53 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.355 0.597 . . . . 0.0 110.692 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.64 70.45 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.332 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 834' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -58.45 -38.23 77.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.669 -173.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.85 85.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.347 0.594 . . . . 0.0 110.731 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 836' ' ' ALA . . . . . 0.622 ' O ' ' HG3' ' A' ' 839' ' ' GLN . . . -80.76 -34.22 34.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.515 0.674 . . . . 0.0 109.293 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.517 HD21 HG21 ' A' ' 875' ' ' ILE . 15.1 tp -59.04 -39.58 82.42 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.788 172.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.41 -50.22 70.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.475 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 839' ' ' GLN . . . . . 0.622 ' HG3' ' O ' ' A' ' 836' ' ' ALA . 1.7 pp0? -61.26 -34.6 75.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.306 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.2 m -71.27 -43.73 66.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.876 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.66 -32.03 73.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.135 0.493 . . . . 0.0 110.334 177.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 842' ' ' HIS . . . . . 0.814 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 8.7 t60 -59.96 -49.9 75.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.114 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 843' ' ' ARG . 1.3 ttm180 -65.77 -37.33 86.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.956 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.485 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.2 OUTLIER -63.0 -48.36 79.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.169 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.814 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -62.53 -32.16 73.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.463 . . . . 0.0 109.895 177.567 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 846' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 845' ' ' LYS . . . -68.26 -49.66 44.46 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.666 177.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 844' ' ' LEU . 20.7 m -64.09 -36.08 75.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.91 0.355 . . . . 0.0 110.899 -178.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -64.21 -43.41 95.09 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.57 77.42 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 4.6 mtm -59.03 -50.4 74.23 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.51 0.672 . . . . 0.0 110.633 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.02 -1.34 56.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.483 -176.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 73.36 26.47 2.04 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.53 0.681 . . . . 0.0 111.033 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.0 mt -86.2 72.59 10.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.256 176.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.694 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 21.9 t -51.39 -54.69 36.01 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.78 -175.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.694 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 46.5 Cg_exo -56.56 -37.75 96.83 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.095 1.863 . . . . 0.0 112.398 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.42 -44.36 84.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.508 178.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 857' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 861' ' ' GLU . 4.3 tttm -63.52 -39.43 94.41 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -55.04 -44.51 74.73 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.583 177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.36 -44.47 95.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.306 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 77.3 m -66.71 -35.54 80.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.543 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 861' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 857' ' ' LYS . 75.9 mm-40 -60.77 -48.07 83.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.394 0.616 . . . . 0.0 110.076 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.4 m -67.43 -32.33 73.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.604 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.723 ' HA ' HD12 ' A' ' 866' ' ' LEU . 0.2 OUTLIER -60.65 -47.79 84.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.204 174.668 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 864' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 867' ' ' ILE . 1.7 mt-10 -58.89 -37.59 76.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 0.0 110.224 176.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 865' ' ' HIS . . . . . 0.485 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 1.9 t60 -62.19 -39.73 93.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.171 175.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 866' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 863' ' ' LEU . 11.7 mt -67.45 -43.13 81.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.388 178.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.569 ' HA ' HD11 ' A' ' 875' ' ' ILE . 23.8 mt -64.69 -44.42 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.486 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -61.17 -33.73 73.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.153 -178.599 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 10.9 pt-20 -102.78 12.94 35.56 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.296 -0.561 . . . . 0.0 111.357 -178.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 58.03 38.31 26.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.126 -0.943 . . . . 0.0 112.406 173.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -88.1 83.28 7.01 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 173.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.533 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 0.7 OUTLIER -56.82 -54.35 55.12 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.004 -178.071 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.533 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 36.9 Cg_exo -59.1 -34.95 98.87 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.104 1.869 . . . . 0.0 112.395 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 874' ' ' GLY . . . . . 0.552 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -67.18 -42.13 91.56 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.737 176.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 867' ' ' ILE . 39.6 mt -55.78 -50.32 68.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.139 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -55.53 -48.16 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.002 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -49.1 78.54 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.231 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -69.47 -33.77 73.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.42 -44.37 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.23 177.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -35.39 80.95 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.891 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -71.13 -36.65 72.18 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.985 0.421 . . . . 0.0 111.093 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 80.4 mt -68.93 -34.27 63.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.311 0.577 . . . . 0.0 109.93 174.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.32 -44.72 67.65 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.516 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.9 p -64.61 -40.04 94.79 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.195 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.07 -55.92 27.05 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.776 0.798 . . . . 0.0 109.998 176.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 1.4 t -61.54 -36.19 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.886 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 887' ' ' LYS . . . . . 0.466 ' HA ' HD12 ' A' ' 890' ' ' LEU . 0.0 OUTLIER -65.55 -38.55 89.92 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -25.69 61.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.996 0.427 . . . . 0.0 110.402 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.96 -24.06 52.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.774 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 887' ' ' LYS . 28.6 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.186 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 10.1 ttp . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.959 0.409 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -130.38 -81.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.449 176.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -43.03 64.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.236 0.541 . . . . 0.0 109.611 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -81.69 60.17 4.51 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.98 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 7.9 p -76.24 -17.17 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.165 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 780' ' ' LEU . . . . . 0.495 ' H ' ' HG ' ' A' ' 780' ' ' LEU . 0.0 OUTLIER -81.46 168.6 18.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.804 176.609 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 781' ' ' GLN . . . . . 0.5 ' HB2' ' H ' ' A' ' 782' ' ' LEU . 27.1 mt-30 -78.86 -103.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.114 0.483 . . . . 0.0 111.091 -177.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.746 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 0.4 OUTLIER -146.7 -57.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.398 -179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.746 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 6.9 mm -132.03 -89.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.427 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 0.1 OUTLIER -165.51 -64.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.999 177.844 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.0 53.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.509 -176.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 56.67 -92.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.852 -171.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 787' ' ' LEU . . . . . 0.464 ' O ' ' HB3' ' A' ' 788' ' ' ALA . 0.1 OUTLIER -146.72 83.27 1.59 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.604 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 788' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 787' ' ' LEU . . . 91.0 146.58 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 O-C-N 124.536 1.148 . . . . 0.0 110.848 173.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.92 4.12 4.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.823 -174.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.407 ' OE2' ' HB1' ' A' ' 788' ' ' ALA . 0.5 OUTLIER -89.38 141.59 28.41 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.15 176.652 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 791' ' ' GLU . . . . . 0.457 ' O ' ' HB ' ' A' ' 792' ' ' VAL . 2.6 tt0 -144.59 96.54 2.89 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.841 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 792' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' A' ' 791' ' ' GLU . 0.9 OUTLIER 77.22 119.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.821 0.82 . . . . 0.0 110.769 -177.642 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.27 25.29 4.52 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.353 172.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -153.09 139.52 18.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.42 -1.264 . . . . 0.0 108.492 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 795' ' ' SER . . . . . 0.528 ' HA ' ' HD3' ' A' ' 796' ' ' PRO . 0.3 OUTLIER -130.83 131.87 23.54 Favored Pre-proline 0 C--N 1.31 -1.132 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.626 -171.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.528 ' HD3' ' HA ' ' A' ' 795' ' ' SER . 6.5 Cg_exo -74.6 91.59 0.98 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.201 2.601 . . . . 0.0 112.111 176.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.587 HD23 ' HG3' ' A' ' 804' ' ' GLN . 0.6 OUTLIER -86.12 150.1 24.66 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.416 178.779 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -119.49 -80.82 0.68 Allowed Glycine 0 C--N 1.316 -0.535 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 174.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -124.08 33.96 3.7 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 174.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 800' ' ' ASP . . . . . 0.557 ' HB2' ' HB3' ' A' ' 803' ' ' ALA . 1.3 p30 -129.48 58.8 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.185 -0.507 . . . . 0.0 111.173 -175.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.35 -41.34 98.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.108 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 802' ' ' ASN . . . . . 0.972 ' HA ' HD23 ' A' ' 805' ' ' LEU . 24.7 t30 -59.67 -39.91 86.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.499 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 803' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 800' ' ' ASP . . . -61.72 -44.29 97.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.201 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 804' ' ' GLN . . . . . 0.587 ' HG3' HD23 ' A' ' 797' ' ' LEU . 0.0 OUTLIER -62.29 -50.58 71.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.972 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.1 OUTLIER -65.07 -37.22 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.687 -176.206 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.532 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 0.2 OUTLIER -82.55 -16.56 48.13 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.129 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -78.78 -34.44 45.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 110.78 176.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -15.14 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.104 0.478 . . . . 0.0 110.88 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.32 33.91 11.2 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.169 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -106.98 14.3 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 110.483 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.467 ' HD1' ' HA ' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -69.25 -32.2 71.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.28 -178.56 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.21 93.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.552 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.7 tt -67.44 -39.65 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.395 177.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -56.6 -38.04 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.82 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 815' ' ' VAL . . . . . 0.432 HG12 HD22 ' A' ' 890' ' ' LEU . 24.5 m -99.36 1.92 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.701 0.286 . . . . 0.0 111.46 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -96.87 -68.48 0.8 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.113 -176.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.29 -24.51 15.64 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -171.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.644 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 52.2 t -64.81 -54.24 36.99 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.644 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 51.7 Cg_exo -54.72 -44.35 50.49 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.17 1.913 . . . . 0.0 112.82 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.72 -26.97 61.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.374 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -75.66 -32.43 60.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 110.253 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.562 ' HA ' HD12 ' A' ' 825' ' ' LEU . 78.9 t -63.76 -41.42 92.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 170.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 823' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.2 OUTLIER -61.42 -37.47 83.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.18 174.095 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.655 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 5.0 ttm105 -59.7 -45.2 92.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.123 176.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 822' ' ' VAL . 12.8 mt -55.72 -43.68 76.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.953 0.406 . . . . 0.0 110.316 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.418 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 20.1 m-85 -59.04 -40.91 86.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.43 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 4.7 m -67.41 -46.19 73.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.493 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.655 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.1 mm-40 -71.63 -30.03 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.65 -177.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 829' ' ' ALA . . . . . 0.425 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -67.45 -38.46 84.53 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.351 176.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.28 -39.39 93.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.354 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 1.4 p -84.68 -7.81 59.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.359 . . . . 0.0 111.117 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.94 31.02 7.34 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.238 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -88.07 78.16 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.255 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.684 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 51.7 m-85 -65.77 -18.32 65.25 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.367 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -71.63 -41.53 68.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.278 0.561 . . . . 0.0 109.583 173.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.13 -35.01 56.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.295 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.684 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 5.7 mt -55.63 -48.82 74.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.091 174.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.93 98.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.988 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.06 -37.52 87.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.373 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 840' ' ' THR . . . . . 0.608 ' O ' ' HG2' ' A' ' 843' ' ' ARG . 6.1 m -70.97 -40.51 71.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.723 0.297 . . . . 0.0 110.589 177.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.0 -32.83 74.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.995 0.426 . . . . 0.0 110.039 175.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -49.36 78.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.798 175.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 840' ' ' THR . 2.9 ptm85 -68.28 -36.22 79.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.915 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.555 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.1 OUTLIER -69.07 -39.87 78.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 110.26 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -58.28 -44.37 88.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.734 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.02 78.14 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.09 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' A' ' 844' ' ' LEU . 30.8 m -69.2 -34.61 64.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 117.006 0.403 . . . . 0.0 111.361 -177.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.465 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 1.6 m-30 -71.52 -40.47 70.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.54 -38.19 83.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.24 -44.25 88.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.428 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 84.6 mt -72.42 -9.79 58.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.3 m-80 79.99 20.98 0.56 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.855 0.722 . . . . 0.0 110.187 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.417 HD11 HD22 ' A' ' 889' ' ' LEU . 0.2 OUTLIER -87.05 78.31 8.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.523 177.056 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.498 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 1.6 t -53.04 -53.24 57.6 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.776 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 19.4 Cg_endo -58.69 -32.89 97.79 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.26 1.973 . . . . 0.0 112.13 177.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.05 -47.52 64.72 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.641 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -34.65 78.54 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -42.16 91.13 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.684 176.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 855' ' ' PRO . 77.8 mt -62.03 -46.68 88.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.345 176.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.95 -35.78 79.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.0 -48.8 78.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.079 0.466 . . . . 0.0 110.435 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 862' ' ' THR . . . . . 0.433 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 3.6 m -68.78 -30.14 68.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.959 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -60.89 -48.79 80.2 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 173.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 864' ' ' GLU . . . . . 0.503 ' HA ' HD12 ' A' ' 867' ' ' ILE . 25.2 mt-10 -58.64 -37.41 75.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.394 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 865' ' ' HIS . . . . . 0.59 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 0.2 OUTLIER -64.82 -36.68 85.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.356 176.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 4.5 mt -72.64 -36.05 67.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.867 0.365 . . . . 0.0 110.18 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 864' ' ' GLU . 30.7 mt -65.92 -43.39 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.183 175.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.59 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -65.95 -29.1 69.45 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.456 177.605 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 8.7 tt0 -83.27 -15.58 49.68 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.083 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.27 33.25 19.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.568 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -87.74 82.64 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 176.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 876' ' ' GLU . 73.1 t -50.08 -55.63 23.22 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.688 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.3 Cg_endo -54.11 -43.3 59.62 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.187 1.925 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.36 -34.02 83.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.32 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.518 ' O ' HG13 ' A' ' 879' ' ' ILE . 66.2 mt -61.78 -56.52 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 876' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 0.9 OUTLIER -60.82 -39.82 90.45 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.643 0.258 . . . . 0.0 110.811 -178.058 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -40.35 95.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.864 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.433 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.1 OUTLIER -70.11 -32.88 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.811 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 875' ' ' ILE . 69.3 mt -63.77 -40.72 90.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -31.37 68.45 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.442 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -69.81 -40.52 75.87 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.219 0.533 . . . . 0.0 110.346 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 81.1 mt -66.41 -33.64 64.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.83 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 883' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 8.7 t70 -73.67 -43.31 59.76 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.825 -177.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 884' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 4.0 p -63.86 -31.36 72.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.005 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -51.06 70.46 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.56 0.695 . . . . 0.0 109.46 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.506 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.5 OUTLIER -64.7 -31.79 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.345 178.532 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 887' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 34.0 mmtm -58.19 -45.41 87.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.809 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -21.13 37.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.568 -176.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 889' ' ' LEU . . . . . 0.417 HD22 HD11 ' A' ' 853' ' ' LEU . 0.1 OUTLIER -87.75 -22.03 24.8 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 6.5 mt . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.694 -0.67 . . . . 0.0 110.879 177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.192 0 CA-C-O 120.478 0.18 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -63.82 -52.72 58.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.769 0.319 . . . . 0.0 111.393 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -84.63 -67.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.466 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -101.88 78.87 1.85 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.333 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -57.83 -84.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.766 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -170.6 -160.16 0.2 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -95.77 156.99 16.1 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 782' ' ' LEU . 0.2 OUTLIER -74.26 -102.84 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.682 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.439 HG22 ' HG2' ' A' ' 784' ' ' GLU . 3.9 mp -90.26 -79.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 168.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.712 ' HG3' HG22 ' A' ' 785' ' ' VAL . 9.9 pt-20 176.06 -49.76 0.01 OUTLIER 'General case' 0 C--N 1.335 -0.052 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.444 173.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.712 HG22 ' HG3' ' A' ' 784' ' ' GLU . 0.5 OUTLIER -117.38 -43.69 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.92 -175.823 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 68.0 -79.56 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.139 0.576 . . . . 0.0 110.792 -178.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 10.8 mt -131.98 42.72 3.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.221 0.534 . . . . 0.0 110.193 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -127.77 24.23 6.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.044 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -136.25 109.36 7.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.421 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -110.35 -160.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.195 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -137.28 -179.53 5.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.64 0.257 . . . . 0.0 111.068 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 792' ' ' VAL . . . . . 0.491 ' HB ' ' H ' ' A' ' 793' ' ' THR . 6.0 m -85.31 -148.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.111 -176.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 793' ' ' THR . . . . . 0.491 ' H ' ' HB ' ' A' ' 792' ' ' VAL . 1.0 OUTLIER -146.78 134.0 20.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.887 0.375 . . . . 0.0 110.642 -178.359 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 794' ' ' GLU . . . . . 0.473 ' O ' ' HD2' ' A' ' 796' ' ' PRO . 0.0 OUTLIER -134.51 -158.71 0.9 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.759 178.766 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 795' ' ' SER . . . . . 0.552 ' HB2' ' HD3' ' A' ' 796' ' ' PRO . 40.1 m 103.62 -68.74 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.029 0 C-N-CA 125.41 1.484 . . . . 0.0 112.374 176.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.552 ' HD3' ' HB2' ' A' ' 795' ' ' SER . 60.0 Cg_endo -72.91 126.55 11.39 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 121.377 1.385 . . . . 0.0 112.25 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 2.6 mp -81.9 -33.39 30.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.851 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 86.03 -56.66 4.81 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.89 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 173.48 -139.19 4.97 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.3 t0 57.69 44.46 20.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.235 0.541 . . . . 0.0 110.583 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -56.14 -50.57 70.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.87 -174.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.06 -47.31 86.94 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.232 -176.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.1 77.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -65.22 -34.81 79.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.505 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.65 -34.18 77.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.208 0.528 . . . . 0.0 110.326 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.536 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 4.9 t-160 -72.01 -43.77 64.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 175.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.46 79.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.986 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -18.17 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.065 0.46 . . . . 0.0 111.015 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 86.15 -5.1 85.09 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.351 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -81.61 -0.6 43.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.027 0.441 . . . . 0.0 110.38 -178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.536 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.3 t80 -52.63 -41.69 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.422 174.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.13 90.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.158 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -43.66 84.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.211 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.591 ' CZ ' HG22 ' A' ' 886' ' ' VAL . 76.7 t80 -55.32 -51.52 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.394 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 815' ' ' VAL . . . . . 0.459 HG12 HD22 ' A' ' 890' ' ' LEU . 32.1 m -81.15 -10.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.76 0.314 . . . . 0.0 111.81 -176.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -78.56 -63.4 1.41 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.668 0.27 . . . . 0.0 111.136 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.44 -49.63 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -172.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.723 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 49.0 t -52.2 -59.2 8.95 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -168.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.723 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.1 Cg_exo -57.37 -47.29 22.73 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.001 1.8 . . . . 0.0 112.727 -176.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.517 ' HA ' ' HE3' ' A' ' 823' ' ' LYS . 0.7 OUTLIER -71.66 -29.76 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.775 -177.529 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -31.47 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.253 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 42.0 t -63.48 -43.76 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 173.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 823' ' ' LYS . . . . . 0.517 ' HE3' ' HA ' ' A' ' 820' ' ' ASP . 15.9 mtmt -59.76 -41.47 91.11 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.181 174.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.532 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 6.8 tpt180 -63.01 -44.93 94.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.294 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.26 -45.73 79.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.497 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -37.39 75.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.101 0.477 . . . . 0.0 110.618 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 39.7 m -67.02 -45.56 77.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.851 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 9.0 mm-40 -72.87 -27.74 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.664 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.29 -35.74 80.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.135 175.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.09 73.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.989 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -5.65 58.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.172 178.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 64.27 30.19 13.54 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.586 0.707 . . . . 0.0 110.23 -177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -84.34 74.54 10.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.963 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.42 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 35.5 m-85 -59.08 -29.81 67.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.807 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.34 94.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.034 0.445 . . . . 0.0 110.216 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.7 -36.89 59.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.589 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.8 OUTLIER -56.64 -50.0 73.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.058 174.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.44 95.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.25 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -60.33 -47.67 85.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.075 0.464 . . . . 0.0 111.22 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.2 m -68.69 -39.52 80.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.34 86.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.381 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 842' ' ' HIS . . . . . 0.607 ' O ' ' HG2' ' A' ' 845' ' ' LYS . 0.1 OUTLIER -56.92 -49.85 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.382 174.833 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 843' ' ' ARG . 5.2 ttm180 -63.7 -40.71 97.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.188 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.444 ' HA ' HG22 ' A' ' 847' ' ' VAL . 2.6 mt -69.94 -41.05 75.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.216 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 842' ' ' HIS . 15.9 ptmt -64.23 -32.79 74.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.126 177.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.19 -46.47 64.7 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.497 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.444 HG22 ' HA ' ' A' ' 844' ' ' LEU . 15.5 m -69.18 -36.66 74.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 117.005 0.402 . . . . 0.0 111.739 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -72.12 -39.89 68.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 0.0 110.098 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.66 84.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.289 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.5 ttm -64.91 -40.31 94.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.164 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 44.0 mt -78.73 -9.82 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.759 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 76.91 6.74 3.22 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.663 0.744 . . . . 0.0 110.683 173.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.09 93.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.589 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.493 ' HB ' ' CD ' ' A' ' 855' ' ' PRO . 16.4 t -56.1 -60.17 9.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.42 -174.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.543 ' HG2' ' OH ' ' A' ' 885' ' ' TYR . 10.5 Cg_endo -55.84 -42.16 69.95 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.174 1.916 . . . . 0.0 112.517 -178.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 856' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 859' ' ' LEU . . . -64.04 -46.35 91.5 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.226 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 857' ' ' LYS . . . . . 0.721 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 0.0 OUTLIER -67.6 -37.69 82.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.446 -179.696 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -36.07 78.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.294 174.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 856' ' ' GLY . 19.6 mt -62.19 -49.45 75.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.744 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.721 ' SG ' ' HA ' ' A' ' 857' ' ' LYS . 0.1 OUTLIER -70.88 -34.89 72.05 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.394 -177.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.96 -45.85 87.26 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.091 0.472 . . . . 0.0 110.432 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 25.0 m -65.22 -37.13 86.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.167 176.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.701 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.8 OUTLIER -60.31 -43.35 96.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.414 176.453 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.27 -45.74 83.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.174 0.511 . . . . 0.0 110.432 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 865' ' ' HIS . . . . . 0.588 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 17.8 t60 -64.74 -33.63 76.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.443 177.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 866' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 863' ' ' LEU . 26.1 mt -68.92 -40.04 79.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.836 0.35 . . . . 0.0 110.383 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.507 ' HA ' HD11 ' A' ' 875' ' ' ILE . 36.3 mt -67.07 -44.81 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 177.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -62.0 -34.89 77.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.321 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 869' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -90.26 -0.5 57.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.73 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.1 42.98 30.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.027 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -91.53 80.05 5.45 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.507 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 1.9 t -53.3 -50.13 84.27 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.803 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 12.5 Cg_endo -56.89 -43.27 55.94 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.102 1.868 . . . . 0.0 112.419 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 874' ' ' GLY . . . . . 0.468 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -63.81 -43.99 96.86 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.879 -0.676 . . . . 0.0 111.863 177.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.507 HD11 ' HA ' ' A' ' 867' ' ' ILE . 62.3 mt -55.72 -50.63 66.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.649 0.262 . . . . 0.0 110.411 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -53.88 -49.65 68.05 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.988 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -40.38 96.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.123 -177.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.701 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 3.1 m-85 -75.99 -32.15 59.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.414 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 875' ' ' ILE . 17.0 mm -60.18 -49.59 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.31 -28.78 66.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.675 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 881' ' ' ASP . . . . . 0.427 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -69.21 -34.87 75.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.853 0.358 . . . . 0.0 110.657 177.644 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 10.4 mt -71.06 -33.56 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 173.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.87 -45.62 67.28 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 884' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 6.5 p -66.22 -32.63 74.18 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.246 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 885' ' ' TYR . . . . . 0.543 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 24.7 t80 -57.39 -58.22 9.21 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 122.462 1.125 . . . . 0.0 109.715 175.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.626 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 2.0 t -65.75 -35.98 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.967 -1.924 . . . . 0.0 110.275 -176.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 887' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 4.0 mttp -56.36 -45.7 80.35 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.965 176.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.3 m -83.25 -15.48 50.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.238 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.24 -33.49 59.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 178.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.321 175.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 2.3 ttp . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 776' ' ' GLN . . . . . 0.546 ' O ' ' HG3' ' A' ' 776' ' ' GLN . 0.0 OUTLIER 70.88 112.48 0.06 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 123.912 0.758 . . . . 0.0 111.482 177.6 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 68.75 -66.54 0.24 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.698 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -80.96 40.08 0.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.283 0.563 . . . . 0.0 111.078 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.81 -17.41 6.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.496 175.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 780' ' ' LEU . . . . . 0.498 ' HB2' ' H ' ' A' ' 781' ' ' GLN . 0.0 OUTLIER -160.85 -141.21 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.077 179.018 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 781' ' ' GLN . . . . . 0.498 ' H ' ' HB2' ' A' ' 780' ' ' LEU . 0.9 OUTLIER -114.43 165.9 12.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.192 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.559 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 0.3 OUTLIER -61.03 -62.15 2.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 176.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.559 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 21.7 mm -120.25 -82.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 171.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' A' ' 785' ' ' VAL . 0.0 OUTLIER -169.15 -46.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.743 176.363 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' ' 789' ' ' GLN . 1.7 m -135.73 31.24 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.678 0.275 . . . . 0.0 110.466 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 786' ' ' GLN . . . . . 0.441 ' HB3' ' H ' ' A' ' 787' ' ' LEU . 0.7 OUTLIER 53.65 -98.75 0.08 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.934 -176.011 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 787' ' ' LEU . . . . . 0.441 ' H ' ' HB3' ' A' ' 786' ' ' GLN . 0.3 OUTLIER -78.94 -56.38 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.14 177.748 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . 177.08 168.62 0.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.844 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 789' ' ' GLN . . . . . 0.542 ' HB2' HG11 ' A' ' 785' ' ' VAL . 0.3 OUTLIER -139.61 69.1 1.36 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.284 0.564 . . . . 0.0 109.793 175.008 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -140.18 -176.3 4.56 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.012 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -168.63 -177.25 3.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.214 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.36 146.61 33.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.828 0.347 . . . . 0.0 110.648 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 15.2 t -120.09 -165.37 1.17 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 173.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 794' ' ' GLU . . . . . 0.545 ' O ' ' HD3' ' A' ' 796' ' ' PRO . 0.6 OUTLIER -70.88 141.93 51.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.951 0.405 . . . . 0.0 110.505 -179.572 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.96 92.31 5.16 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.522 175.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.545 ' HD3' ' O ' ' A' ' 794' ' ' GLU . 16.4 Cg_endo -90.09 -172.84 0.61 Allowed 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 123.021 2.481 . . . . 0.0 112.059 -177.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.563 ' HB3' ' HG2' ' A' ' 804' ' ' GLN . 0.2 OUTLIER -114.22 113.54 24.78 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.115 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -78.16 -27.02 58.79 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.048 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -167.13 168.51 40.44 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 13.1 t0 66.08 74.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.411 0.624 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -69.28 -30.99 69.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.862 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -58.19 -45.35 87.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.054 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.5 91.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 804' ' ' GLN . . . . . 0.563 ' HG2' ' HB3' ' A' ' 797' ' ' LEU . 1.2 mp0 -67.5 -45.24 76.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.858 -178.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.61 HD21 ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -69.59 -26.52 64.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.582 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.43 -46.45 63.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.836 174.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.12 82.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.95 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -12.0 60.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 76.87 17.68 79.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.939 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.499 ' HB3' ' CD2' ' A' ' 851' ' ' LEU . 10.0 m-30 -94.03 -6.71 44.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.941 0.4 . . . . 0.0 110.469 -177.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.61 ' HD1' HD21 ' A' ' 805' ' ' LEU . 91.2 t80 -59.31 -36.17 75.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.482 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.16 -37.23 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.2 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.4 mt -78.22 -34.62 49.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.288 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.535 ' HB2' HD11 ' A' ' 805' ' ' LEU . 53.4 t80 -57.83 -53.46 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.44 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 815' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 811' ' ' TYR . 9.1 m -79.04 -9.12 12.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.501 -177.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -85.24 -70.66 0.57 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.999 0.428 . . . . 0.0 111.439 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 3.4 t -89.53 -32.11 17.32 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -171.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.639 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 63.4 t -62.65 -55.03 42.57 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.639 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.1 Cg_exo -61.07 -38.86 64.45 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.584 1.523 . . . . 0.0 111.812 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.27 -29.04 63.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.446 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 821' ' ' ASP . . . . . 0.589 ' HB3' HD11 ' A' ' 844' ' ' LEU . 0.3 OUTLIER -68.02 -37.2 81.1 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.537 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 883' ' ' ASP . 56.1 t -61.66 -41.37 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.91 173.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -59.74 -39.96 86.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.234 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.67 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -61.01 -45.74 93.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.177 176.73 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 822' ' ' VAL . 30.3 mt -52.48 -46.47 66.57 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.533 176.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -36.18 82.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.768 178.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 19.0 m -66.15 -45.55 80.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.7 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 7.2 mm-40 -67.57 -34.58 77.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 829' ' ' ALA . . . . . 0.428 ' HA ' HD21 ' A' ' 837' ' ' LEU . . . -63.65 -41.48 98.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.793 177.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -68.14 -29.21 68.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.164 0.506 . . . . 0.0 110.641 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 6.7 m -83.53 -12.0 56.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.807 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.4 25.55 15.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.625 0.726 . . . . 0.0 109.896 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -91.74 78.04 5.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.337 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.767 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 24.8 m-85 -62.6 -22.69 66.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.727 -178.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.68 -40.15 92.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.282 0.563 . . . . 0.0 109.708 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -76.16 -32.12 58.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.008 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.767 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.0 OUTLIER -55.6 -49.96 71.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.812 173.449 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.82 99.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.227 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -60.28 -44.74 95.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.993 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 6.0 m -66.92 -44.19 81.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.925 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.57 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.971 0.415 . . . . 0.0 110.728 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -47.8 84.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.143 175.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.526 ' HD2' ' OD1' ' A' ' 821' ' ' ASP . 32.5 ttm105 -62.13 -44.46 96.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.392 178.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 821' ' ' ASP . 0.1 OUTLIER -64.82 -38.11 89.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.035 -178.22 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.639 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 8.5 ttmt -62.25 -43.81 97.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.853 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.25 -47.98 61.18 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.612 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.68 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 27.6 m -66.06 -36.53 77.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-N 116.872 0.336 . . . . 0.0 111.279 -177.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.43 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 0.2 OUTLIER -67.33 -40.97 85.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.732 0.301 . . . . 0.0 110.365 179.339 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.9 86.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.221 175.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -36.84 78.21 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.818 177.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 70.4 mt -74.44 -11.76 60.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.412 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 79.11 14.96 1.06 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.642 176.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.7 83.31 8.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.8 177.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.436 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 12.1 t -53.46 -56.85 20.42 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.296 -176.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 12.9 Cg_endo -56.83 -32.9 93.33 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.13 1.886 . . . . 0.0 112.216 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.51 -45.39 78.2 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.696 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -36.27 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -63.35 -39.08 93.57 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.635 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.24 -49.18 78.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.486 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 29.7 m -63.44 -34.25 77.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.097 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 861' ' ' GLU . . . . . 0.639 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 1.2 mm-40 -61.02 -51.81 67.64 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.153 0.502 . . . . 0.0 110.394 177.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 862' ' ' THR . . . . . 0.475 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.7 m -65.13 -36.32 83.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.946 178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.594 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -58.56 -49.64 76.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.154 176.565 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.17 -39.93 80.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.768 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 865' ' ' HIS . . . . . 0.4 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 20.8 t-80 -67.45 -36.12 80.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.614 177.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 28.4 mt -67.11 -39.88 86.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.933 0.397 . . . . 0.0 110.471 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.428 ' HA ' HD11 ' A' ' 875' ' ' ILE . 29.5 mt -66.04 -42.63 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.405 177.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.83 -28.5 69.03 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.763 178.73 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 20.0 mm-40 -85.06 -5.2 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.145 178.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 57.17 38.65 29.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.986 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -89.17 86.66 6.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.506 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.617 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 0.5 OUTLIER -53.37 -58.51 12.42 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.815 -170.771 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.617 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 42.6 Cg_exo -57.35 -36.15 98.88 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.072 1.848 . . . . 0.0 112.046 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -65.72 -40.15 95.63 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.036 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 872' ' ' VAL . 41.0 mt -62.55 -52.9 54.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.743 0.306 . . . . 0.0 110.474 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 876' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 872' ' ' VAL . 8.7 mt-10 -59.23 -43.43 92.35 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.592 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -59.69 -47.75 84.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.733 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.598 ' HA ' ' HB2' ' A' ' 881' ' ' ASP . 0.2 OUTLIER -69.31 -33.73 73.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.741 -176.328 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 77.6 mt -58.78 -47.15 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 1.5 m -67.84 -28.72 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.967 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 881' ' ' ASP . . . . . 0.598 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 2.6 m-20 -69.07 -40.89 78.19 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.123 0.487 . . . . 0.0 110.621 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.91 -33.67 60.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.147 0.499 . . . . 0.0 109.976 175.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 883' ' ' ASP . . . . . 0.777 ' HB2' HG11 ' A' ' 822' ' ' VAL . 1.9 t70 -69.61 -46.69 65.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.612 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 9.6 p -64.18 -32.95 74.73 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.313 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -55.16 28.29 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.055 0.931 . . . . 0.0 110.091 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.586 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.3 t -61.94 -39.48 83.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.465 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -64.55 -33.61 76.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.719 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.3 -27.45 42.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.444 176.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -48.19 80.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.973 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.264 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 775' ' ' MET . . . . . 0.686 ' HG2' HG12 ' A' ' 779' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.79 0.328 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -151.67 -93.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.62 -36.27 83.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.44 0.638 . . . . 0.0 109.96 175.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -116.01 78.57 1.2 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.787 176.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 779' ' ' VAL . . . . . 0.686 HG12 ' HG2' ' A' ' 775' ' ' MET . 2.0 m -62.29 -40.93 89.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.344 0.592 . . . . 0.0 109.735 176.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -176.62 -143.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 781' ' ' GLN . . . . . 0.431 ' HB2' ' H ' ' A' ' 782' ' ' LEU . 7.9 mt-30 -103.28 -109.42 0.25 Allowed 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 168.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.838 ' HG ' HG13 ' A' ' 783' ' ' ILE . 1.1 pt? -177.51 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 176.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.838 HG13 ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -145.6 -136.67 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-N 114.24 -1.345 . . . . 0.0 107.674 169.585 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.503 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 0.7 OUTLIER -126.23 -40.49 1.98 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.164 0.507 . . . . 0.0 110.833 -179.07 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' ' 789' ' ' GLN . 0.3 OUTLIER -117.27 79.9 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.551 -175.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 786' ' ' GLN . . . . . 0.61 ' HG3' HD21 ' A' ' 782' ' ' LEU . 0.1 OUTLIER -84.94 -59.47 2.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.144 -177.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.64 17.63 22.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.929 178.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -127.28 -174.3 3.13 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.14 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 789' ' ' GLN . . . . . 0.42 ' HB2' HG11 ' A' ' 785' ' ' VAL . 0.0 OUTLIER 68.07 76.7 0.26 Allowed 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.886 0.741 . . . . 0.0 110.135 -178.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.4 ' H ' ' HG2' ' A' ' 790' ' ' GLU . 1.9 pt-20 -80.96 164.13 22.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.891 176.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.41 165.88 11.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.99 0.424 . . . . 0.0 111.224 -176.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.55 143.28 37.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.821 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 4.3 t -141.48 132.68 26.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.001 0.429 . . . . 0.0 110.254 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.75 128.12 55.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -176.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.2 78.43 74.39 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.12 175.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -66.13 -40.6 15.14 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.202 1.934 . . . . 0.0 112.592 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 34.2 mt -140.78 81.07 1.78 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.028 0.442 . . . . 0.0 110.699 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -78.62 -37.07 27.84 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.755 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 160.85 143.39 3.66 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.244 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 21.0 t0 66.14 96.8 0.05 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.485 0.714 . . . . 0.0 111.505 177.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.37 -41.03 90.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.517 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 802' ' ' ASN . . . . . 0.559 ' HA ' HD23 ' A' ' 805' ' ' LEU . 0.8 OUTLIER -61.27 -47.54 85.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.84 -179.433 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.87 89.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.901 0.381 . . . . 0.0 110.613 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -45.67 74.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.765 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -63.5 -34.24 77.34 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.105 0.479 . . . . 0.0 110.358 179.346 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -68.29 -42.02 80.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.324 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -66.06 -29.24 69.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.817 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 -2.8 58.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.821 0.343 . . . . 0.0 111.218 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 72.07 32.21 63.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.085 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.41 ' HB3' HD22 ' A' ' 851' ' ' LEU . 13.7 m-85 -96.21 0.66 51.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.679 0.276 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -42.47 94.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 812' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -60.9 -32.24 71.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.57 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.84 -33.78 24.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.071 0.462 . . . . 0.0 109.885 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -60.78 -46.16 91.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.626 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 815' ' ' VAL . . . . . 0.64 HG12 HD22 ' A' ' 890' ' ' LEU . 18.7 m -82.81 -6.17 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.709 -178.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 816' ' ' ASP . . . . . 0.525 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 8.0 t70 -90.65 -72.49 0.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.872 0.368 . . . . 0.0 111.386 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 3.8 t -79.57 -31.15 41.86 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -171.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.678 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 94.0 t -63.58 -55.54 33.78 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.982 -173.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.678 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 38.2 Cg_exo -59.51 -35.43 95.82 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.846 1.697 . . . . 0.0 112.203 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 823' ' ' LYS . 5.4 t0 -71.44 -39.81 70.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.343 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.76 -34.82 74.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.451 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.11 -37.87 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 173.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 823' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 820' ' ' ASP . 1.4 mtpt -57.06 -55.43 34.87 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.93 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.516 ' HG3' HG21 ' A' ' 840' ' ' THR . 2.4 ptp180 -64.74 -36.08 83.14 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.92 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.569 HD23 HD23 ' A' ' 837' ' ' LEU . 1.1 mt -55.14 -48.88 73.07 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.14 0.495 . . . . 0.0 110.209 175.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.413 ' HD1' ' HA ' ' A' ' 826' ' ' TYR . 0.0 OUTLIER -65.42 -42.42 92.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.819 178.842 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 29.9 m -65.52 -42.45 92.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.803 -174.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.492 ' HA ' ' OG1' ' A' ' 831' ' ' THR . 5.8 mm-40 -78.61 -25.13 45.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.001 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 829' ' ' ALA . . . . . 0.807 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -63.15 -35.84 81.63 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 172.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.61 89.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.833 174.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 831' ' ' THR . . . . . 0.492 ' OG1' ' HA ' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -72.17 -9.74 58.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.572 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.3 m 62.31 32.94 16.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.716 0.77 . . . . 0.0 109.692 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.68 73.65 10.39 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.174 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.543 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 62.1 m-85 -59.65 -29.45 68.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.222 -176.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 835' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 839' ' ' GLN . . . -64.39 -41.31 96.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.241 0.543 . . . . 0.0 109.953 175.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.31 -36.4 54.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.807 HD11 ' HA ' ' A' ' 829' ' ' ALA . 1.8 mt -55.64 -49.21 73.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.113 175.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.7 98.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.118 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 839' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 835' ' ' ALA . 64.9 mm-40 -61.96 -45.43 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.845 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 840' ' ' THR . . . . . 0.516 HG21 ' HG3' ' A' ' 824' ' ' ARG . 2.3 m -70.78 -37.16 73.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.107 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.41 93.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.056 0.455 . . . . 0.0 109.961 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -40.5 97.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.467 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -59.92 -50.38 73.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.562 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.493 ' HA ' HG22 ' A' ' 847' ' ' VAL . 1.6 tp -67.66 -37.53 82.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.714 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.711 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 10.1 ttmt -61.39 -43.44 98.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.168 176.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.29 76.37 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.681 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.52 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 26.1 m -70.97 -30.31 40.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.865 0.333 . . . . 0.0 111.353 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.42 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 2.8 m-30 -70.87 -46.27 62.93 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.15 -25.57 67.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.242 0.544 . . . . 0.0 110.059 174.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -48.84 31.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.446 175.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 13.6 mt -90.83 19.58 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.196 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 13.5 p30 58.93 35.44 24.14 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.102 0.961 . . . . 0.0 112.008 170.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.64 67.66 2.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.644 171.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.507 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -56.9 -54.7 51.48 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.674 -171.497 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.507 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 51.3 Cg_exo -55.73 -39.2 92.49 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.141 1.894 . . . . 0.0 112.341 177.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.64 -42.42 95.45 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.437 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -42.39 99.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -38.12 77.77 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.221 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.97 -43.15 96.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.339 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.454 ' HB2' ' HB2' ' A' ' 845' ' ' LYS . 34.3 m -64.78 -36.44 84.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.299 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 861' ' ' GLU . . . . . 0.711 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 2.4 mt-10 -64.14 -48.68 75.09 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.21 0.529 . . . . 0.0 110.173 177.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 862' ' ' THR . . . . . 0.688 ' HB ' ' HE2' ' A' ' 878' ' ' TYR . 2.4 m -64.57 -32.97 74.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.609 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.426 ' HG ' ' CB ' ' A' ' 878' ' ' TYR . 0.5 OUTLIER -60.25 -45.91 91.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.125 174.793 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.19 -43.03 78.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.404 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -65.14 -40.78 94.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.951 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.47 -33.78 76.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.16 0.505 . . . . 0.0 110.3 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.487 ' HA ' HD11 ' A' ' 875' ' ' ILE . 16.1 mt -68.2 -42.44 84.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.437 0.637 . . . . 0.0 109.56 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.68 -33.38 74.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.54 179.198 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 1.8 tp10 -76.94 -12.85 60.01 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.73 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 65.34 43.71 3.42 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.151 -177.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -99.88 87.82 3.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.596 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.548 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 3.4 t -58.83 -50.31 88.67 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.137 -175.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 7.3 Cg_endo -51.5 -45.35 38.15 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.28 1.987 . . . . 0.0 112.375 176.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -63.0 -40.35 99.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.293 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 872' ' ' VAL . 61.7 mt -59.67 -54.69 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.44 0.162 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 876' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -65.56 -34.41 78.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.745 0.307 . . . . 0.0 110.842 -177.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 877' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 3.7 mtpp -64.92 -43.44 92.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.411 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.688 ' HE2' ' HB ' ' A' ' 862' ' ' THR . 2.4 m-85 -69.65 -34.11 73.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.737 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.9 -43.5 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 3.8 m -67.61 -31.0 70.73 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.801 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 881' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 885' ' ' TYR . 3.8 m-20 -73.78 -35.45 64.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.257 0.551 . . . . 0.0 110.448 178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 11.2 mt -68.46 -33.42 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.702 174.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -47.29 62.25 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.484 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.7 p -62.5 -38.7 90.92 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.812 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 885' ' ' TYR . . . . . 0.434 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 1.2 t80 -62.81 -55.84 22.74 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.212 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.545 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.2 t -62.81 -32.26 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.588 -1.187 . . . . 0.0 110.37 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.85 -43.87 86.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.008 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -25.33 37.3 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.49 -178.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -17.19 34.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.64 HD22 HG12 ' A' ' 815' ' ' VAL . 18.0 mt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.515 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 1.8 ttp . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.667 0.27 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 776' ' ' GLN . . . . . 0.537 ' O ' ' HB2' ' A' ' 777' ' ' GLU . 6.8 tp-100 -78.44 121.87 25.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.098 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.537 ' HB2' ' O ' ' A' ' 776' ' ' GLN . 1.1 mm-40 81.98 -39.35 0.12 Allowed 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.145 0.903 . . . . 0.0 110.859 177.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -126.48 102.31 7.07 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -26.12 31.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.296 177.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 2.1 mt 64.37 -155.14 0.3 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.721 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -116.78 160.23 21.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.208 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 12.6 tp -66.89 -59.96 3.06 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.633 HG23 ' H ' ' A' ' 784' ' ' GLU . 0.1 OUTLIER -132.72 -71.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.633 ' H ' HG23 ' A' ' 783' ' ' ILE . 7.3 pt-20 -177.72 -36.37 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.371 0.605 . . . . 0.0 109.807 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.497 HG22 ' HG3' ' A' ' 784' ' ' GLU . 0.1 OUTLIER -106.35 81.37 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.299 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 786' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 787' ' ' LEU . 0.0 OUTLIER -75.4 49.52 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.735 -175.141 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 787' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 786' ' ' GLN . 0.3 OUTLIER 169.01 -95.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.301 1.04 . . . . 0.0 108.447 178.814 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 788' ' ' ALA . . . . . 0.42 ' H ' ' HB3' ' A' ' 787' ' ' LEU . . . -178.77 116.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.254 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -82.62 155.18 24.55 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -86.59 116.42 24.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.733 0.778 . . . . 0.0 111.054 -176.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -118.31 -20.6 8.46 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.697 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 1.3 m -65.36 136.94 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.513 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 2.0 p -84.93 -51.04 7.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.209 0.528 . . . . 0.0 110.429 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -134.82 170.92 15.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.603 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.71 112.03 51.18 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.84 72.75 1.94 Allowed 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.57 2.18 . . . . 0.0 111.135 173.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.49 -129.26 1.37 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.75 -174.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 73.67 16.19 79.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.379 174.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 75.49 30.98 57.54 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.701 177.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -107.37 15.87 24.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.388 0.614 . . . . 0.0 110.256 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 805' ' ' LEU . 25.5 mp0 -60.26 -46.28 90.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.482 -175.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 802' ' ' ASN . . . . . 0.481 ' HA ' HD23 ' A' ' 805' ' ' LEU . 3.0 t-20 -70.38 -42.09 72.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.003 0.43 . . . . 0.0 110.633 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.37 75.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.858 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -64.84 -38.11 89.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.918 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -61.88 -43.06 99.61 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -177.443 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.438 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 3.3 p-80 -80.94 -21.32 40.53 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.827 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -72.11 -40.48 68.12 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.752 0.311 . . . . 0.0 111.318 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.1 p -78.4 -15.95 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.964 0.411 . . . . 0.0 110.796 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.93 26.02 30.31 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.712 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.594 ' HB3' HD22 ' A' ' 851' ' ' LEU . 8.1 m-30 -92.58 11.97 24.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.068 0.461 . . . . 0.0 110.723 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -40.14 86.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.117 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.43 76.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 -177.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 47.6 mt -70.16 -33.55 71.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.066 0.46 . . . . 0.0 110.302 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -65.48 -52.57 51.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.075 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.5 -25.16 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.835 -175.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 816' ' ' ASP . . . . . 0.608 ' O ' ' HB ' ' A' ' 817' ' ' THR . 1.3 t0 -100.26 52.35 0.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.637 -177.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 817' ' ' THR . . . . . 0.608 ' HB ' ' O ' ' A' ' 816' ' ' ASP . 3.6 t 173.9 -45.77 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.452 170.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.458 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 95.0 t -65.3 -61.75 5.6 Favored Pre-proline 0 CA--C 1.535 0.384 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -171.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.458 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 19.3 Cg_endo -60.31 -35.15 92.54 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.783 1.656 . . . . 0.0 112.107 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.25 -38.28 75.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.864 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 821' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 824' ' ' ARG . 4.5 m-20 -70.54 -29.68 66.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.024 177.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.414 ' HA ' HD12 ' A' ' 825' ' ' LEU . 36.5 t -64.23 -45.57 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.367 175.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -64.81 -36.19 83.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.159 0.504 . . . . 0.0 109.99 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.618 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 2.9 ttm180 -61.32 -47.17 87.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.841 175.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.464 ' HG ' HG21 ' A' ' 840' ' ' THR . 16.5 mt -52.68 -45.9 67.02 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.295 0.372 . . . . 0.0 110.329 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -55.35 -44.17 75.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 110.481 176.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 17.2 m -67.57 -46.26 73.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.162 -176.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 30.9 mm-40 -74.13 -32.49 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -176.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.67 81.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.729 0.299 . . . . 0.0 110.551 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.22 92.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.211 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 -7.3 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.444 178.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 59.6 m 66.9 36.88 4.18 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.333 0.587 . . . . 0.0 110.705 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -81.46 75.94 8.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.526 0.679 . . . . 0.0 109.279 175.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.459 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 64.1 m-85 -62.82 -24.56 67.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.429 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.58 86.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.247 0.546 . . . . 0.0 110.087 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.23 -35.27 55.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.809 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.56 HD23 HG12 ' A' ' 867' ' ' ILE . 1.2 tp -57.04 -43.41 81.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.476 174.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.31 87.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.856 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -59.24 -46.11 89.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 840' ' ' THR . . . . . 0.464 HG21 ' HG ' ' A' ' 825' ' ' LEU . 6.2 m -64.97 -44.42 89.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.011 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.53 83.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.546 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -63.17 -43.94 96.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.693 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -42.99 99.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.327 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.484 ' HB3' ' SG ' ' A' ' 860' ' ' CYS . 7.3 mt -66.64 -52.56 43.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.508 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 860' ' ' CYS . 19.6 ptmt -57.84 -40.64 80.57 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -69.97 -47.4 46.79 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.689 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.551 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 3.5 p -69.31 -31.95 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.903 0.352 . . . . 0.0 111.267 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.499 ' HD2' ' HB3' ' A' ' 853' ' ' LEU . 5.3 m-85 -68.24 -44.2 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 849' ' ' ALA . . . . . 0.599 ' HB2' ' HD2' ' A' ' 857' ' ' LYS . . . -60.92 -33.65 73.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.444 175.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -38.08 68.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.946 178.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.594 HD22 ' HB3' ' A' ' 810' ' ' TYR . 67.5 mt -79.94 -5.77 56.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.656 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 81.02 16.01 0.57 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.853 174.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.499 ' HB3' ' HD2' ' A' ' 848' ' ' PHE . 0.3 OUTLIER -87.57 72.91 9.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.328 175.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.428 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.1 OUTLIER -49.62 -56.38 17.17 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.722 -175.309 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.428 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 50.3 Cg_exo -55.11 -35.53 90.79 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.162 1.908 . . . . 0.0 112.409 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 856' ' ' GLY . . . . . 0.402 ' HA3' ' CD2' ' A' ' 848' ' ' PHE . . . -66.58 -41.35 94.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.989 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 857' ' ' LYS . . . . . 0.599 ' HD2' ' HB2' ' A' ' 849' ' ' ALA . 13.6 tttp -61.78 -42.57 99.16 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -61.94 -36.11 80.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.563 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -44.51 96.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.16 176.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.514 ' HB2' ' HB3' ' A' ' 845' ' ' LYS . 13.9 m -70.51 -26.68 63.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.261 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.39 -53.66 48.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.253 0.549 . . . . 0.0 109.888 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 862' ' ' THR . . . . . 0.622 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 58.0 m -64.8 -30.65 71.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.607 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 878' ' ' TYR . 0.0 OUTLIER -60.04 -53.33 59.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.818 176.34 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 864' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 867' ' ' ILE . 0.4 OUTLIER -61.81 -33.55 74.32 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.941 0.4 . . . . 0.0 110.264 179.762 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 865' ' ' HIS . . . . . 0.539 ' N ' ' HG3' ' A' ' 864' ' ' GLU . 61.9 t-80 -66.47 -42.27 87.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.226 176.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 866' ' ' LEU . . . . . 0.455 HD22 ' HA3' ' A' ' 874' ' ' GLY . 22.7 mt -65.6 -41.41 92.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.769 0.318 . . . . 0.0 110.519 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.628 ' HA ' HD11 ' A' ' 875' ' ' ILE . 20.0 mt -62.04 -43.89 98.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 110.175 176.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 868' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -28.65 68.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.379 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 869' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.75 2.86 56.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.623 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 61.27 29.6 18.75 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.512 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.95 72.6 8.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.148 -179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.703 ' HA ' HD12 ' A' ' 875' ' ' ILE . 16.2 t -54.26 -48.78 93.47 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.468 -177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.2 Cg_endo -55.63 -40.38 85.67 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.055 1.837 . . . . 0.0 112.193 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 874' ' ' GLY . . . . . 0.455 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -66.94 -42.5 92.71 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.897 176.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 872' ' ' VAL . 55.7 mt -57.12 -52.05 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 CA-C-O 120.779 0.323 . . . . 0.0 110.461 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.57 -50.05 68.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.6 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -58.44 -49.12 78.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.296 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.622 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.1 OUTLIER -67.33 -32.4 73.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.302 -176.43 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 875' ' ' ILE . 69.2 mt -65.12 -40.19 88.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.586 176.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -31.93 72.99 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.056 0.455 . . . . 0.0 110.54 176.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.28 -36.48 74.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.216 0.531 . . . . 0.0 110.136 176.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 8.0 mt -68.13 -33.65 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.219 0.533 . . . . 0.0 109.876 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -45.57 65.83 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.55 -176.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.1 p -62.79 -37.28 86.07 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.75 177.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 885' ' ' TYR . . . . . 0.421 ' HD1' ' HA ' ' A' ' 885' ' ' TYR . 0.1 OUTLIER -62.48 -58.38 7.8 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.926 178.094 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.446 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.4 t -64.2 -34.49 69.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.856 -176.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -56.11 -49.51 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.48 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.3 m -81.39 -13.58 58.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.649 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.71 -35.48 22.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.51 0.195 . . . . 0.0 111.322 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 95.6 mt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.009 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 775' ' ' MET . . . . . 0.5 ' O ' ' HB3' ' A' ' 776' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 776' ' ' GLN . . . . . 0.5 ' HB3' ' O ' ' A' ' 775' ' ' MET . 17.3 tt0 75.19 -45.28 0.56 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.614 0.766 . . . . 0.0 111.994 -178.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.43 ' HG3' ' H ' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -55.2 -64.88 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.314 0.578 . . . . 0.0 111.121 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -138.68 -27.23 0.85 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.523 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 779' ' ' VAL . . . . . 0.609 HG12 ' HG ' ' A' ' 780' ' ' LEU . 60.5 t 72.91 -67.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.731 -178.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 780' ' ' LEU . . . . . 0.609 ' HG ' HG12 ' A' ' 779' ' ' VAL . 9.9 mt -118.47 -161.15 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -86.31 -45.75 10.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.598 ' HG ' ' N ' ' A' ' 783' ' ' ILE . 1.9 pt? -173.71 -48.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.175 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.598 ' N ' ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -175.34 -19.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 -179.264 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.448 ' H ' ' H ' ' A' ' 783' ' ' ILE . 1.3 mp0 67.2 35.66 4.38 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.351 173.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.561 ' HB ' ' H ' ' A' ' 789' ' ' GLN . 27.6 m -108.16 26.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.989 176.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -45.5 -56.95 4.51 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.423 -171.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 4.6 mt -109.42 35.79 3.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.793 0.33 . . . . 0.0 110.693 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 788' ' ' ALA . . . . . 0.434 ' C ' ' HG3' ' A' ' 789' ' ' GLN . . . -143.19 -73.07 0.29 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.182 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 789' ' ' GLN . . . . . 0.561 ' H ' ' HB ' ' A' ' 785' ' ' VAL . 0.0 OUTLIER 38.59 -137.82 0.07 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.992 0.917 . . . . 0.0 111.99 -175.494 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.518 ' H ' ' HB2' ' A' ' 789' ' ' GLN . 2.7 pt-20 -143.57 140.12 30.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.803 177.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 791' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' A' ' 791' ' ' GLU . 1.4 pt-20 -90.21 148.66 22.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 -177.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 792' ' ' VAL . . . . . 0.543 HG23 ' HG2' ' A' ' 794' ' ' GLU . 13.0 m -133.19 140.68 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.357 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 1.9 m -76.32 65.7 2.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.249 0.547 . . . . 0.0 111.266 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 794' ' ' GLU . . . . . 0.543 ' HG2' HG23 ' A' ' 792' ' ' VAL . 0.6 OUTLIER -120.41 -22.79 6.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.252 0.548 . . . . 0.0 110.398 176.764 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.99 -49.05 83.07 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.667 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.57 129.18 12.49 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.755 1.636 . . . . 0.0 111.254 172.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.569 ' HA ' ' HG2' ' A' ' 804' ' ' GLN . 0.0 OUTLIER -74.7 88.63 2.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.066 0.46 . . . . 0.0 110.896 -177.802 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -90.65 -25.95 24.02 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.702 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -139.41 120.93 1.96 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 8.0 t0 67.26 92.66 0.08 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.546 0.689 . . . . 0.0 111.179 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' A' ' 805' ' ' LEU . 36.3 mp0 -64.54 -44.46 90.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.154 -177.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 802' ' ' ASN . . . . . 0.822 ' HA ' HD23 ' A' ' 805' ' ' LEU . 1.9 t-20 -64.81 -44.26 90.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.945 -176.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -60.88 -51.13 70.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.612 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 804' ' ' GLN . . . . . 0.569 ' HG2' ' HA ' ' A' ' 797' ' ' LEU . 0.8 OUTLIER -60.69 -45.73 93.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.304 -179.262 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -67.23 -39.52 86.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.064 -174.805 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 1.2 p-80 -81.82 -23.89 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.284 -0.566 . . . . 0.0 111.164 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -75.83 -37.31 59.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.646 0.26 . . . . 0.0 110.934 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.4 p -68.41 -24.41 64.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.988 0.423 . . . . 0.0 110.796 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 99.13 16.83 29.07 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.168 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.432 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 1.9 m-30 -95.91 3.59 53.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.921 0.391 . . . . 0.0 110.897 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.58 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 2.7 t80 -61.3 -42.4 98.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.697 176.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 812' ' ' ALA . . . . . 0.591 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -59.45 -43.24 93.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.992 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -43.0 83.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.183 0.516 . . . . 0.0 110.359 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.824 ' HE1' HG22 ' A' ' 886' ' ' VAL . 1.4 t80 -62.0 -43.78 98.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.327 -177.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 24.8 m -80.26 -22.65 11.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.708 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 816' ' ' ASP . . . . . 0.591 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 2.8 t0 -84.94 -44.85 12.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.271 0.558 . . . . 0.0 111.608 -176.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 54.5 m -88.22 -56.78 3.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.712 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.712 HG11 HG21 ' A' ' 886' ' ' VAL . 22.1 t -56.99 -57.17 26.36 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -166.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.645 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 44.0 Cg_exo -57.01 -32.33 92.78 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.191 1.927 . . . . 0.0 113.293 -176.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -74.86 -39.62 61.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.077 0.465 . . . . 0.0 109.896 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -37.95 78.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.859 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 818' ' ' VAL . 6.3 m -71.52 -32.16 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.421 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -62.46 -44.94 95.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.079 0.466 . . . . 0.0 109.786 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -60.38 -45.82 92.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.246 175.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.7 mt -55.49 -47.46 76.13 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.739 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -46.87 86.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.323 0.582 . . . . 0.0 111.075 177.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 86.2 m -65.61 -45.1 84.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.472 -174.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.427 ' HG3' ' HB3' ' A' ' 833' ' ' ASP . 0.0 OUTLIER -77.73 -24.24 49.15 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.416 -178.242 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.6 91.53 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.98 95.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.926 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 831' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -78.92 -11.19 59.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.05 179.028 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 65.12 36.27 7.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.427 ' HB3' ' HG3' ' A' ' 828' ' ' GLU . 10.2 t0 -81.47 74.27 8.47 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.504 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 70.7 m-85 -58.72 -32.18 68.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.231 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.38 94.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.252 0.548 . . . . 0.0 109.772 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.97 58.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.828 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.4 OUTLIER -57.54 -49.83 75.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.242 177.329 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 838' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 842' ' ' HIS . . . -62.94 -40.93 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.94 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -64.18 -45.43 88.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.395 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.2 m -67.87 -42.98 80.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.205 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.0 86.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 0.0 110.643 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 842' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 838' ' ' ALA . 7.4 t60 -60.45 -47.18 87.23 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.199 175.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 843' ' ' ARG . 0.5 OUTLIER -63.07 -42.1 99.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.641 178.632 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.488 ' HB3' ' SG ' ' A' ' 860' ' ' CYS . 5.3 mt -64.51 -41.56 96.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.671 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -40.05 92.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.081 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.85 -43.82 81.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.802 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.537 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 9.1 p -73.48 -35.99 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.788 0.294 . . . . 0.0 111.405 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -67.38 -40.56 85.71 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -63.35 -33.99 76.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.489 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 8.5 tpt -64.35 -45.52 87.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.536 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 11.0 mt -71.86 -12.75 61.43 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.554 177.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.4 m-80 76.93 24.85 0.87 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.327 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.68 86.08 7.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.361 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.733 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 3.3 t -52.01 -57.92 13.22 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.75 -175.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.733 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 32.2 Cg_exo -60.38 -35.23 91.87 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.941 1.761 . . . . 0.0 112.411 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 856' ' ' GLY . . . . . 0.416 ' HA2' HD12 ' A' ' 859' ' ' LEU . . . -65.89 -47.2 76.9 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.539 177.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -62.52 -39.09 92.42 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -44.18 77.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.674 177.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.416 HD12 ' HA2' ' A' ' 856' ' ' GLY . 13.9 mt -61.88 -48.41 80.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.63 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 55.5 m -62.11 -41.51 98.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.014 -178.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.92 -47.35 86.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.178 0.513 . . . . 0.0 110.295 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 862' ' ' THR . . . . . 0.43 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 8.5 m -64.97 -36.06 83.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.796 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.814 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -59.46 -53.66 55.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 864' ' ' GLU . . . . . 0.692 ' HA ' HD12 ' A' ' 867' ' ' ILE . 7.1 pt-20 -65.09 -32.34 74.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.54 -178.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.21 -43.56 97.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.79 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 866' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 862' ' ' THR . 78.0 mt -64.67 -31.46 72.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.401 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 864' ' ' GLU . 15.8 mt -74.05 -42.29 52.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.338 0.59 . . . . 0.0 109.549 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.514 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -61.4 -35.19 76.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.545 177.473 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.514 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 11.7 mm-40 -89.58 2.91 54.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.721 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.89 43.27 30.22 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.083 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -85.94 72.82 10.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.655 ' HA ' HD12 ' A' ' 875' ' ' ILE . 2.4 t -48.01 -57.03 11.29 Favored Pre-proline 0 N--CA 1.467 0.378 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -173.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 13.0 Cg_endo -56.47 -40.07 87.02 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.065 1.843 . . . . 0.0 112.001 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.55 -35.47 86.57 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.106 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' A' ' 872' ' ' VAL . 61.5 mt -60.19 -55.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 876' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 872' ' ' VAL . 0.0 OUTLIER -59.59 -41.37 90.11 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.377 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -59.3 -48.96 79.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.061 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.814 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.5 OUTLIER -69.76 -33.48 72.48 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.406 -177.702 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.55 -41.17 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 9.6 m -65.43 -32.12 73.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.839 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 881' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 885' ' ' TYR . 0.4 OUTLIER -68.58 -38.65 80.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.816 -179.725 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 60.9 mt -70.71 -34.07 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.232 0.539 . . . . 0.0 109.87 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.86 -45.34 64.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.607 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 6.8 p -62.83 -39.78 95.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.042 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 885' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 0.5 OUTLIER -60.74 -57.43 12.7 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.223 1.011 . . . . 0.0 109.889 -179.663 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.824 HG22 ' HE1' ' A' ' 814' ' ' PHE . 1.6 t -60.26 -36.45 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 CA-C-N 113.515 -1.675 . . . . 0.0 110.717 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -47.7 83.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.442 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.41 69.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 111.148 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.31 -16.24 38.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.074 -177.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 13.4 mt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.189 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 775' ' ' MET . . . . . 0.466 ' O ' ' HG2' ' A' ' 776' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 776' ' ' GLN . . . . . 0.703 ' O ' ' HB2' ' A' ' 777' ' ' GLU . 4.0 pm0 45.26 27.37 0.33 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.649 1.18 . . . . 0.0 113.698 175.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.703 ' HB2' ' O ' ' A' ' 776' ' ' GLN . 1.4 tm-20 147.77 -61.32 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.798 1.239 . . . . 0.0 108.648 -176.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -176.93 125.31 0.15 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.257 -1.338 . . . . 0.0 107.878 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.26 112.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.113 0.483 . . . . 0.0 111.472 -176.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.69 176.7 4.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.436 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -110.99 -178.48 3.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.472 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 17.9 tp -93.47 91.59 7.21 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.713 HG22 ' HG2' ' A' ' 784' ' ' GLU . 8.7 mm 59.39 -85.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.242 -171.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.968 ' HG3' HG22 ' A' ' 785' ' ' VAL . 10.3 pt-20 175.97 -26.24 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.358 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.968 HG22 ' HG3' ' A' ' 784' ' ' GLU . 0.2 OUTLIER -153.95 120.65 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -176.209 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.0 -51.45 66.8 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.38 173.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -170.62 29.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.174 175.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -84.05 39.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.461 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -138.39 121.13 16.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.272 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 62.19 -135.22 0.51 Allowed 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 124.05 0.844 . . . . 0.0 111.845 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 62.56 88.18 0.1 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.596 0.56 . . . . 0.0 110.823 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.04 133.83 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.894 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.24 107.27 18.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.82 178.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -147.8 167.4 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.3 115.78 24.8 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 122.528 0.331 . . . . 0.0 111.015 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.438 ' O ' HG21 ' A' ' 854' ' ' VAL . 57.1 Cg_endo -71.79 -12.46 28.76 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.572 2.181 . . . . 0.0 111.97 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.99 -53.53 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.041 176.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 138.61 -63.31 0.56 Allowed Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.134 177.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 93.51 -9.36 74.12 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -138.64 24.21 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.866 -0.667 . . . . 0.0 109.685 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 805' ' ' LEU . 3.2 mp0 -47.5 -51.55 20.18 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -169.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -65.79 -40.18 91.68 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.602 -174.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -74.48 -38.94 62.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.31 0.576 . . . . 0.0 110.285 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.72 -46.87 83.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.24 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.712 HD11 ' HB2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -66.99 -28.96 68.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.472 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.571 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 7.3 t-160 -66.88 -39.66 87.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.541 175.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -81.4 -36.58 29.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.88 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 808' ' ' SER . . . . . 0.447 ' OG ' ' HA ' ' A' ' 805' ' ' LEU . 29.3 p -65.08 -25.88 67.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.064 0.459 . . . . 0.0 111.009 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 98.0 7.52 56.25 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.615 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.442 ' HB3' HD22 ' A' ' 851' ' ' LEU . 4.4 m-30 -84.04 -9.5 58.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 0.0 110.281 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.571 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 19.5 t80 -55.8 -39.48 71.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.903 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.15 -36.58 77.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.195 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 813' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' A' ' 813' ' ' LEU . 3.5 mt -77.86 -38.74 45.34 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.712 ' HB2' HD11 ' A' ' 805' ' ' LEU . 30.8 t80 -56.86 -49.3 75.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.403 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 22.0 m -78.54 -3.99 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.744 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -97.34 -49.74 4.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.6 p -76.18 -60.57 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.736 -174.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.802 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 21.3 t -58.16 -60.62 9.55 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -170.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.802 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 54.4 Cg_exo -53.11 -48.82 20.05 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.333 2.022 . . . . 0.0 112.969 -177.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.536 ' HA ' ' HD2' ' A' ' 823' ' ' LYS . 32.1 t70 -64.1 -45.49 88.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.991 -178.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 821' ' ' ASP . . . . . 0.559 ' HA ' ' HB2' ' A' ' 824' ' ' ARG . 3.9 m-20 -72.1 -19.94 61.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.871 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 3.0 t -68.43 -47.75 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 173.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 823' ' ' LYS . . . . . 0.536 ' HD2' ' HA ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -63.52 -37.75 88.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.21 0.528 . . . . 0.0 109.709 174.845 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.706 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 13.5 mtm105 -61.03 -48.94 79.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.724 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.404 ' HG ' HG21 ' A' ' 840' ' ' THR . 7.0 mt -51.34 -47.02 62.85 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.387 0.429 . . . . 0.0 110.574 176.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.469 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 13.6 m-85 -51.97 -45.71 64.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.376 0.608 . . . . 0.0 110.044 174.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 16.3 m -68.55 -46.12 70.34 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.429 -176.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.706 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 0.0 OUTLIER -70.82 -33.97 71.23 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.596 -179.328 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.77 90.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.705 0.288 . . . . 0.0 110.636 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.89 71.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.631 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 23.0 m -84.52 -13.33 52.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.693 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 63.48 31.63 14.79 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.554 0.692 . . . . 0.0 110.403 -178.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -87.43 75.88 9.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.338 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.581 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 44.8 m-85 -63.09 -24.47 67.92 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.87 -177.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.57 97.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.295 0.569 . . . . 0.0 109.632 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -73.7 -37.99 65.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.637 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 828' ' ' GLU . 1.2 tp -55.67 -47.51 76.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.533 175.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.97 97.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.007 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -63.2 -43.61 97.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 840' ' ' THR . . . . . 0.404 HG21 ' HG ' ' A' ' 825' ' ' LEU . 96.5 m -64.69 -45.71 85.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -59.67 -40.08 86.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.823 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -65.91 -42.89 89.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.725 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -62.75 -45.33 93.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.599 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 818' ' ' VAL . 8.5 mt -69.14 -39.97 78.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.443 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -56.3 -45.15 80.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.304 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.85 -38.08 84.69 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.058 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.577 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 4.8 t -61.99 -51.26 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.625 0.25 . . . . 0.0 110.803 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -59.82 -47.63 84.94 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.89 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 111.384 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -35.72 75.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.702 ' HB2' ' HG ' ' A' ' 853' ' ' LEU . 9.1 mt -81.4 -9.67 59.68 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 79.49 21.65 0.59 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.291 0.995 . . . . 0.0 109.758 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.702 ' HG ' ' HB2' ' A' ' 851' ' ' LEU . 13.8 mt -83.84 70.02 10.33 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.978 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.656 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 46.4 t -53.26 -53.01 60.8 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.838 -174.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.656 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 54.0 Cg_exo -54.33 -37.92 88.79 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.057 1.838 . . . . 0.0 112.313 177.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.26 -44.61 85.42 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.764 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -38.59 89.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -44.25 81.13 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.305 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.784 ' HB3' ' HE1' ' A' ' 878' ' ' TYR . 13.2 mt -60.18 -46.14 90.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.359 176.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 83.2 m -64.0 -30.84 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.323 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -60.64 -50.34 73.91 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -39.21 85.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.981 176.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.778 ' HG ' ' CD2' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -62.13 -49.03 77.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.994 179.518 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.95 -38.79 70.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.384 0.611 . . . . 0.0 110.062 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 865' ' ' HIS . . . . . 0.494 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 37.6 t60 -67.3 -42.27 83.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.667 176.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 866' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 863' ' ' LEU . 19.9 mt -62.36 -36.03 80.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.744 0.307 . . . . 0.0 110.662 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.584 HD11 HD13 ' A' ' 863' ' ' LEU . 17.7 mt -72.09 -38.31 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.312 178.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.608 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.79 -28.32 67.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.73 178.6 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.608 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 1.5 mm-40 -98.0 -0.82 43.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.63 -178.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? 54.72 46.68 24.13 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.28 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -92.32 83.8 5.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.775 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.763 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 21.8 t -51.5 -56.37 21.31 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.479 -176.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.763 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.1 Cg_exo -54.85 -41.83 74.61 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.46 2.107 . . . . 0.0 112.377 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 874' ' ' GLY . . . . . 0.52 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -62.41 -39.58 97.96 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.077 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.602 ' O ' HG13 ' A' ' 879' ' ' ILE . 61.6 mt -66.17 -53.53 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.385 0.136 . . . . 0.0 111.221 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 876' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 1.5 pt-20 -63.11 -42.22 99.52 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.752 0.311 . . . . 0.0 110.986 -176.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -40.25 84.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.807 176.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.784 ' HE1' ' HB3' ' A' ' 859' ' ' LEU . 51.1 t80 -60.54 -43.9 96.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.969 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.602 HG13 ' O ' ' A' ' 875' ' ' ILE . 6.8 mt -61.15 -41.06 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.903 -178.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -35.4 80.59 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.579 176.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.95 -33.12 51.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.717 -176.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 882' ' ' ILE . . . . . 0.498 HG22 ' HA ' ' A' ' 879' ' ' ILE . 12.6 tt -74.81 -31.39 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.814 0.34 . . . . 0.0 110.208 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.56 -44.52 74.29 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.1 p -66.94 -35.39 79.88 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.719 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 885' ' ' TYR . . . . . 0.431 ' OH ' ' HB2' ' A' ' 855' ' ' PRO . 24.0 t80 -57.52 -58.57 7.72 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.041 0.924 . . . . 0.0 110.731 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.628 HG23 ' CZ ' ' A' ' 814' ' ' PHE . 7.3 p -67.81 -31.29 51.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 114.11 -1.405 . . . . 0.0 110.765 -174.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 887' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 890' ' ' LEU . 12.5 mtmt -72.05 -28.85 63.62 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.2 p -84.36 -25.17 29.35 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.328 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.3 -25.43 42.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.058 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 887' ' ' LYS . 47.7 mt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.299 -0.857 . . . . 0.0 110.925 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.31 -32.82 0.24 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.385 0.674 . . . . 0.0 111.934 177.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.94 -36.25 49.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.184 0.516 . . . . 0.0 110.175 177.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -142.19 71.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.766 176.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.67 130.31 55.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.432 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 780' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 780' ' ' LEU . 0.0 OUTLIER -110.13 111.94 23.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.043 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -73.04 -1.79 18.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.315 -175.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.72 ' HG ' ' N ' ' A' ' 783' ' ' ILE . 0.1 OUTLIER -54.13 -42.83 69.92 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 171.16 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.72 ' N ' ' HG ' ' A' ' 782' ' ' LEU . 0.7 OUTLIER -112.25 60.57 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 CA-C-N 113.782 -1.553 . . . . 0.0 107.581 174.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.26 -23.47 9.01 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.175 -177.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.22 20.2 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.912 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 786' ' ' GLN . . . . . 0.712 ' HA ' ' HB ' ' A' ' 783' ' ' ILE . 0.4 OUTLIER 52.23 -117.06 1.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.829 -175.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 787' ' ' LEU . . . . . 0.492 ' H ' ' HG ' ' A' ' 787' ' ' LEU . 0.0 OUTLIER -96.68 -26.79 15.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.065 0.46 . . . . 0.0 110.302 179.395 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -175.87 158.42 2.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.241 -0.891 . . . . 0.0 108.985 -177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -78.87 123.03 26.82 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.322 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.96 -161.98 1.23 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.153 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.5 127.65 44.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.813 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.84 125.86 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 173.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.28 39.06 1.08 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.002 -170.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -165.34 172.93 11.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.686 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 795' ' ' SER . . . . . 0.689 ' HB2' HG22 ' A' ' 854' ' ' VAL . 1.5 m -156.91 86.12 2.87 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.8 96.88 1.11 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.517 2.145 . . . . 0.0 113.329 -175.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.593 ' H ' HD22 ' A' ' 797' ' ' LEU . 0.5 OUTLIER -74.98 -53.87 8.19 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 172.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 139.46 -18.03 3.07 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.607 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 105.08 30.52 4.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.678 -0.773 . . . . 0.0 111.387 -176.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.24 27.36 3.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -176.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -54.33 -53.38 54.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.347 -171.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -32.08 71.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.833 0.349 . . . . 0.0 110.663 -176.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -71.5 -51.4 23.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.186 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -67.26 -37.7 83.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.67 0.271 . . . . 0.0 110.625 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 1.6 tp -63.06 -38.59 91.78 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.083 0.468 . . . . 0.0 109.97 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.603 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 3.0 t-160 -68.43 -53.51 23.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.731 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.06 95.78 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 21.5 m -75.84 3.52 9.85 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.521 -178.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 79.63 -6.68 57.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.119 -0.563 . . . . 0.0 113.766 172.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.437 ' HD2' HD23 ' A' ' 851' ' ' LEU . 0.3 OUTLIER -78.53 1.17 23.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.29 0.566 . . . . 0.0 110.923 -177.156 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.603 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 8.8 t80 -59.96 -27.34 66.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.687 170.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.88 80.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.521 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -33.84 71.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.468 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.506 ' CZ ' HG23 ' A' ' 886' ' ' VAL . 2.2 t80 -58.57 -43.85 89.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.819 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 7.0 m -98.0 12.6 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.046 0.451 . . . . 0.0 111.023 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -90.47 -61.69 1.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.939 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 817' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 821' ' ' ASP . 0.3 OUTLIER -112.57 -30.87 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.399 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.78 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 80.8 t -53.11 -58.82 10.86 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -172.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.78 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 17.1 Cg_exo -67.4 -41.84 8.33 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 121.898 1.732 . . . . 0.0 112.251 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.12 -43.03 93.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.101 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 821' ' ' ASP . . . . . 0.462 ' HA ' ' HB2' ' A' ' 824' ' ' ARG . 1.6 m-20 -76.83 -28.08 55.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.2 t -65.12 -38.19 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 173.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -67.68 -36.04 79.94 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.705 174.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.462 ' HB2' ' HA ' ' A' ' 821' ' ' ASP . 26.8 mtm-85 -61.12 -45.93 92.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.988 175.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.818 HD23 ' HG ' ' A' ' 837' ' ' LEU . 0.5 OUTLIER -54.2 -44.97 72.06 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.279 175.739 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -62.3 -40.51 96.52 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.1 m -68.38 -41.24 80.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.271 0.558 . . . . 0.0 110.259 -175.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -79.69 -24.67 41.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.217 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.45 75.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.917 0.389 . . . . 0.0 110.038 174.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.25 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.311 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -18.49 48.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.114 177.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 11.1 m 67.91 31.72 5.53 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.917 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -83.72 74.73 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.229 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.785 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 28.3 m-85 -69.25 -15.18 63.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.474 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -69.6 -43.4 72.86 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -71.96 -36.5 69.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.528 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.818 ' HG ' HD23 ' A' ' 825' ' ' LEU . 0.3 OUTLIER -57.66 -46.16 84.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.475 175.526 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.3 95.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.798 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.01 -45.27 93.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 111.165 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.2 m -64.93 -42.48 94.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.948 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.18 -31.76 73.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.613 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -61.8 -46.3 90.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.054 175.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -63.42 -42.18 98.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.402 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.407 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.4 OUTLIER -63.69 -44.19 94.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.75 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -39.23 80.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -65.36 -46.98 84.06 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.766 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 850' ' ' MET . 8.4 m -70.81 -37.42 68.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.878 0.339 . . . . 0.0 111.571 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.33 -40.4 81.64 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -67.1 -32.48 73.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.282 174.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 850' ' ' MET . . . . . 0.473 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 6.7 ttt -56.35 -51.01 69.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.796 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.437 HD23 ' HD2' ' A' ' 810' ' ' TYR . 0.1 OUTLIER -85.38 -7.79 58.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.65 178.014 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.26 37.08 11.37 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.054 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.458 HD13 ' HE2' ' A' ' 885' ' ' TYR . 3.8 mt -76.67 82.69 3.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.274 176.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.773 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 2.4 t -44.33 -61.71 1.94 Allowed Pre-proline 0 N--CA 1.469 0.51 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -170.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.773 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 47.8 Cg_exo -56.36 -39.73 89.35 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.811 1.674 . . . . 0.0 112.282 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -71.73 -40.1 59.0 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.203 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -32.94 73.32 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -68.48 -38.6 81.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.029 175.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.46 -42.85 97.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.185 175.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 58.8 m -67.32 -39.25 85.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -55.33 -53.43 56.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.416 0.627 . . . . 0.0 110.023 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -31.04 71.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.128 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.2 OUTLIER -61.54 -52.02 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.6 0.238 . . . . 0.0 110.446 177.309 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.65 -35.7 76.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.054 0.454 . . . . 0.0 110.362 178.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 865' ' ' HIS . . . . . 0.518 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 12.5 t60 -67.59 -36.1 80.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.848 176.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 866' ' ' LEU . . . . . 0.542 HD22 ' HA3' ' A' ' 874' ' ' GLY . 12.9 mt -75.26 -33.35 61.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.646 0.26 . . . . 0.0 110.538 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.493 ' HA ' HD11 ' A' ' 875' ' ' ILE . 71.3 mt -71.17 -37.52 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.077 0.465 . . . . 0.0 110.067 175.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -67.63 -35.65 79.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.281 178.077 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 9.5 mm-40 -85.79 -3.51 58.92 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt 54.89 55.11 8.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.017 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -113.1 89.11 3.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.227 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.644 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 26.4 t -55.08 -52.68 69.12 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -175.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.644 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 77.7 Cg_exo -52.1 -43.74 50.72 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.219 1.946 . . . . 0.0 112.61 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 874' ' ' GLY . . . . . 0.542 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -65.93 -44.99 90.72 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.68 -0.772 . . . . 0.0 111.601 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.531 ' O ' HG13 ' A' ' 879' ' ' ILE . 60.3 mt -57.48 -49.93 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 110.454 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.51 -54.25 43.52 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.059 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -41.3 86.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.201 -177.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -73.35 -32.83 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.736 -175.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 875' ' ' ILE . 75.2 mt -64.29 -39.86 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.798 174.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -29.28 66.78 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.418 177.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.65 -35.96 73.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.536 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.51 -33.49 57.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.171 0.51 . . . . 0.0 110.017 173.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 883' ' ' ASP . . . . . 0.432 ' O ' HG12 ' A' ' 886' ' ' VAL . 3.5 t70 -71.77 -42.06 67.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.613 0.72 . . . . 0.0 109.508 -178.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.9 p -70.26 -29.95 66.86 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.984 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 885' ' ' TYR . . . . . 0.458 ' HE2' HD13 ' A' ' 853' ' ' LEU . 17.4 t80 -59.28 -57.55 12.54 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.913 0.863 . . . . 0.0 110.316 176.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.506 HG23 ' CZ ' ' A' ' 814' ' ' PHE . 4.2 p -64.69 -31.35 53.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.669 -177.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -26.97 61.12 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.642 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 2.5 p -89.73 -24.06 21.64 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 889' ' ' LEU . . . . . 0.431 ' HB3' ' HE2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -83.06 -21.5 33.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.351 177.079 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.51 ' HA ' ' OH ' ' A' ' 811' ' ' TYR . 14.6 mt . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.134 171.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 775' ' ' MET . . . . . 0.438 ' HG2' ' HA ' ' A' ' 779' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.979 0.419 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.95 -81.01 0.51 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.616 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -39.77 21.39 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -92.67 71.12 4.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.23 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 779' ' ' VAL . . . . . 0.438 ' HA ' ' HG2' ' A' ' 775' ' ' MET . 17.6 t -67.41 -52.98 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.582 176.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.6 137.12 33.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.519 176.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -95.26 -171.08 2.31 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 8.3 tp -146.3 113.46 6.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.179 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 21.9 mt 70.19 -71.44 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 O-C-N 123.825 0.703 . . . . 0.0 110.872 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.49 ' HG2' HG22 ' A' ' 785' ' ' VAL . 19.3 tt0 -172.55 -65.15 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -176.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.49 HG22 ' HG2' ' A' ' 784' ' ' GLU . 0.0 OUTLIER -159.13 89.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.094 175.086 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.53 -21.54 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.747 -173.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 30.5 tp -71.84 -66.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.056 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -92.56 27.67 2.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -176.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 789' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 785' ' ' VAL . 0.2 OUTLIER -80.04 74.43 6.82 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 171.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -88.75 169.04 11.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.398 -175.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.0 157.16 30.56 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.065 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 5.7 m -61.85 131.51 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.187 0.518 . . . . 0.0 111.074 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.44 -159.02 0.54 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -77.9 163.36 26.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.048 0.451 . . . . 0.0 110.985 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 1.5 m -145.21 89.48 6.4 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.609 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.16 -66.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.491 2.127 . . . . 0.0 111.968 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -177.8 -46.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.459 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 79.04 -76.14 1.96 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.883 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -149.22 -26.63 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.814 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.96 83.54 1.85 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.281 0.563 . . . . 0.0 110.765 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.462 ' H ' ' HG2' ' A' ' 801' ' ' GLU . 0.0 OUTLIER -54.08 -44.05 70.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.895 177.705 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 802' ' ' ASN . . . . . 0.658 ' HA ' HD23 ' A' ' 805' ' ' LEU . 12.8 t30 -53.86 -39.02 65.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.746 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.2 84.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.729 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 804' ' ' GLN . . . . . 0.408 HE21 ' HB3' ' A' ' 804' ' ' GLN . 0.2 OUTLIER -64.27 -46.62 82.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.374 178.111 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -65.94 -31.15 71.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.241 179.676 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.79 -50.71 67.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.428 175.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.22 68.97 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.375 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 51.0 m -67.4 -18.01 64.95 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 85.76 -14.07 53.65 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.931 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.97 25.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.966 0.412 . . . . 0.0 111.406 -176.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -70.34 -32.51 70.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.174 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.93 95.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.171 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.75 -41.89 91.59 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.281 176.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.586 ' CZ ' HG23 ' A' ' 886' ' ' VAL . 25.9 t80 -56.53 -52.91 62.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.3 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 815' ' ' VAL . . . . . 0.629 HG12 HD22 ' A' ' 890' ' ' LEU . 34.8 m -79.16 -2.29 5.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.757 0.313 . . . . 0.0 111.601 -177.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -95.02 -64.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.274 -177.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.79 -29.68 19.58 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -171.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.655 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 49.7 t -60.06 -54.94 50.36 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.655 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 45.2 Cg_exo -57.94 -40.49 77.53 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.986 1.79 . . . . 0.0 112.489 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -73.31 -43.65 60.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.23 -176.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -32.13 72.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.747 0.308 . . . . 0.0 110.471 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -39.77 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 174.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 823' ' ' LYS . . . . . 0.479 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.0 OUTLIER -68.34 -35.36 77.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.065 175.849 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -60.8 -46.47 90.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.966 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.37 -44.56 72.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.265 175.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.479 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 11.9 m-85 -57.6 -45.33 85.44 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.365 0.602 . . . . 0.0 110.25 175.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 8.0 m -65.28 -45.53 84.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.967 -176.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.23 -32.25 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.253 -176.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.92 91.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 110.648 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.12 -23.08 67.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.797 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.6 2.0 27.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.325 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.3 m 59.5 38.27 22.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.324 0.583 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -85.72 71.31 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.633 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 65.6 m-85 -65.06 -24.11 67.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.039 -175.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.45 94.78 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.198 0.523 . . . . 0.0 109.675 173.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -74.26 -33.33 63.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.426 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.633 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 1.0 OUTLIER -61.3 -38.83 88.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.411 175.451 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.45 96.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.058 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -62.36 -47.47 84.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.873 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -35.54 78.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.666 0.27 . . . . 0.0 111.217 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.69 96.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.665 0.269 . . . . 0.0 110.483 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.28 -43.93 84.98 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.453 ' O ' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -54.42 -51.22 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.921 177.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 844' ' ' LEU . 1.3 mt -72.46 -41.58 65.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.035 -176.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -60.78 -40.47 92.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.26 -48.46 58.49 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.86 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.539 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 16.8 m -68.34 -38.77 79.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 CA-C-N 117.146 0.473 . . . . 0.0 111.502 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -64.76 -43.03 94.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.911 -0.404 . . . . 0.0 109.911 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.71 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.102 0.477 . . . . 0.0 110.191 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 850' ' ' MET . . . . . 0.403 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -63.22 -41.59 99.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.776 177.303 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 4.9 mt -80.05 -10.15 59.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.801 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 77.13 23.59 0.91 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.029 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.505 HD13 ' HE2' ' A' ' 885' ' ' TYR . 12.0 mt -81.42 84.62 6.63 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.697 178.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.759 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 18.8 t -55.77 -58.56 15.19 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.818 -174.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.759 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 35.9 Cg_exo -60.19 -39.81 65.38 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.116 1.877 . . . . 0.0 112.03 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 856' ' ' GLY . . . . . 0.484 ' HA2' HD12 ' A' ' 859' ' ' LEU . . . -64.79 -45.04 93.86 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.148 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 857' ' ' LYS . . . . . 0.532 ' HE3' ' HA ' ' A' ' 854' ' ' VAL . 0.0 OUTLIER -62.69 -35.62 80.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.852 0.358 . . . . 0.0 110.075 177.828 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -37.08 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.554 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.484 HD12 ' HA2' ' A' ' 856' ' ' GLY . 43.7 mt -62.73 -45.91 90.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.104 176.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 20.4 m -64.53 -36.32 83.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 178.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.87 -51.47 69.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.194 0.521 . . . . 0.0 110.791 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 862' ' ' THR . . . . . 0.534 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.3 m -68.99 -28.77 66.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.805 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -62.06 -49.14 77.17 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 173.197 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -43.98 63.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.438 174.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 865' ' ' HIS . . . . . 0.693 ' O ' ' HG2' ' A' ' 869' ' ' GLU . 20.3 t60 -62.13 -48.18 81.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.034 177.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.02 -28.11 69.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.772 0.32 . . . . 0.0 111.122 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.537 ' HA ' HD11 ' A' ' 875' ' ' ILE . 38.7 mt -76.2 -35.88 29.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -66.7 -34.28 77.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.314 176.726 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.693 ' HG2' ' O ' ' A' ' 865' ' ' HIS . 30.9 mm-40 -83.23 -8.29 59.49 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.812 0.339 . . . . 0.0 110.488 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt 61.59 40.48 13.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -96.48 81.32 3.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.966 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' A' ' 875' ' ' ILE . 2.2 t -49.55 -52.59 48.96 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.616 -177.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 10.9 Cg_endo -54.76 -42.96 63.7 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.348 2.032 . . . . 0.0 112.592 178.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.63 90.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.869 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 867' ' ' ILE . 56.5 mt -56.99 -49.96 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.25 -45.95 79.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.062 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.47 -40.89 92.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.845 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.624 ' HA ' ' HB2' ' A' ' 881' ' ' ASP . 1.5 m-85 -75.68 -32.03 59.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.812 -176.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 875' ' ' ILE . 44.5 mt -61.21 -43.04 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 172.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 51.5 m -67.02 -28.67 68.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.682 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 881' ' ' ASP . . . . . 0.624 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -69.45 -36.89 77.04 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.278 0.561 . . . . 0.0 110.363 176.835 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 34.5 mt -69.47 -32.9 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.286 0.565 . . . . 0.0 109.789 173.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 883' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 10.4 t0 -72.15 -42.77 65.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.35 -178.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.0 p -65.4 -38.28 89.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.102 178.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 885' ' ' TYR . . . . . 0.505 ' HE2' HD13 ' A' ' 853' ' ' LEU . 28.8 t80 -49.34 -57.74 6.34 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.961 0.886 . . . . 0.0 110.359 172.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.599 HG22 HD21 ' A' ' 890' ' ' LEU . 1.4 p -68.56 -30.45 47.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.355 -1.293 . . . . 0.0 111.393 -176.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 887' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 7.4 mmtm -56.21 -48.45 76.41 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.561 0.219 . . . . 0.0 110.966 174.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -25.65 48.04 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -178.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -46.28 67.61 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.504 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.629 HD22 HG12 ' A' ' 815' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.499 176.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.493 0.187 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -43.91 24.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 111.553 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -74.34 -45.34 47.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.502 . . . . 0.0 109.888 178.513 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -116.07 93.57 4.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.408 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 779' ' ' VAL . . . . . 0.415 HG23 ' H ' ' A' ' 779' ' ' VAL . 0.2 OUTLIER -74.04 76.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.598 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.21 -40.94 98.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.549 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -80.3 72.37 7.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.471 175.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.536 ' HG ' HG12 ' A' ' 783' ' ' ILE . 0.4 OUTLIER -63.62 -29.57 70.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.653 0.74 . . . . 0.0 109.493 175.332 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.536 HG12 ' HG ' ' A' ' 782' ' ' LEU . 27.7 mm -92.74 46.7 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.876 175.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.629 ' HG3' HG22 ' A' ' 785' ' ' VAL . 0.4 OUTLIER -89.59 5.75 44.25 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 171.833 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.629 HG22 ' HG3' ' A' ' 784' ' ' GLU . 0.0 OUTLIER -150.98 -42.23 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.841 -174.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 786' ' ' GLN . . . . . 0.447 ' HG3' HG23 ' A' ' 783' ' ' ILE . 0.0 OUTLIER 66.14 -95.63 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.959 -179.436 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.07 56.01 1.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.991 0.425 . . . . 0.0 110.735 -177.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 788' ' ' ALA . . . . . 0.577 ' HB3' ' HB ' ' A' ' 785' ' ' VAL . . . -145.44 -160.19 1.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.766 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 789' ' ' GLN . . . . . 0.418 ' CG ' HG21 ' A' ' 785' ' ' VAL . 52.3 mm-40 73.62 5.87 4.95 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.695 0.798 . . . . 0.0 112.158 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.608 ' HG3' ' H ' ' A' ' 791' ' ' GLU . 5.8 pt-20 -150.45 -73.99 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.194 -0.202 . . . . 0.0 111.473 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 791' ' ' GLU . . . . . 0.608 ' H ' ' HG3' ' A' ' 790' ' ' GLU . 23.5 mm-40 -70.48 117.5 12.1 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.891 0.377 . . . . 0.0 110.375 -178.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 1.2 p -173.89 -8.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.354 -174.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 56.2 m -152.63 116.77 4.9 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 120.769 0.319 . . . . 0.0 111.099 -175.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -96.2 161.42 13.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.093 0.473 . . . . 0.0 110.95 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.63 82.24 6.22 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.116 177.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.14 5.17 5.95 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.501 2.8 . . . . 0.0 113.395 -173.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.53 HD22 ' HA ' ' A' ' 801' ' ' GLU . 1.2 mt 69.12 -81.41 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.755 0.659 . . . . 0.0 110.675 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 65.02 52.53 40.79 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.364 -0.446 . . . . 0.0 112.626 176.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 96.88 -16.6 60.69 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.817 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.64 31.33 2.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.18 0.514 . . . . 0.0 110.232 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.53 ' HA ' HD22 ' A' ' 797' ' ' LEU . 38.9 mp0 -63.94 -33.93 76.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.143 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 802' ' ' ASN . . . . . 0.631 ' HB3' ' HG ' ' A' ' 889' ' ' LEU . 2.7 p-10 -65.02 -33.48 76.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.386 177.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -64.25 -48.76 74.53 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.887 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.54 -44.58 95.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.525 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -59.13 -49.99 75.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.225 -177.251 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 2.8 p-80 -80.37 -15.91 55.74 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.126 -177.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -85.88 -20.14 29.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.61 0.243 . . . . 0.0 111.4 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 2.1 p -88.8 -1.11 57.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.995 0.426 . . . . 0.0 110.52 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 80.97 31.05 36.35 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.265 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -107.45 5.68 27.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 0.0 110.681 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.437 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.5 t80 -66.94 -35.29 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.262 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.92 -31.82 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.177 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.62 -36.16 22.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.858 0.361 . . . . 0.0 110.101 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.749 ' HB2' HD11 ' A' ' 805' ' ' LEU . 49.5 t80 -53.61 -48.59 69.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.561 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 815' ' ' VAL . . . . . 0.411 HG12 HD21 ' A' ' 890' ' ' LEU . 28.7 m -99.43 24.76 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.214 0.531 . . . . 0.0 111.762 -176.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -130.03 -65.73 0.81 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.211 0.529 . . . . 0.0 110.841 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.9 m -83.07 -34.2 26.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.057 -174.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.709 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 88.8 t -65.31 -57.13 15.91 Favored Pre-proline 0 CA--C 1.534 0.346 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -173.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.709 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 50.4 Cg_exo -55.24 -38.82 93.42 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.214 1.943 . . . . 0.0 112.989 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -77.84 -36.89 49.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.531 -176.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.99 -31.48 72.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.131 0.491 . . . . 0.0 109.7 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.485 HG22 HD11 ' A' ' 844' ' ' LEU . 53.0 t -66.59 -42.0 89.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.939 172.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 823' ' ' LYS . . . . . 0.539 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 18.0 mtmm -62.18 -37.86 86.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.43 176.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.671 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.3 mtp85 -60.42 -42.99 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.08 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.401 ' HG ' ' CG2' ' A' ' 840' ' ' THR . 8.6 mt -54.47 -44.58 72.71 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 110.28 174.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.539 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 19.7 m-85 -57.68 -42.88 84.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.343 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 3.8 m -64.32 -45.72 86.67 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.261 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 20.1 mm-40 -67.06 -38.86 86.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.523 -178.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.0 93.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.26 96.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.019 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.9 4.09 35.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.546 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.67 25.0 14.99 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.135 0.493 . . . . 0.0 111.246 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -88.74 70.13 8.73 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.646 ' HA ' ' HB3' ' A' ' 837' ' ' LEU . 16.1 m-85 -63.03 -23.12 67.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.146 -173.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.7 -46.11 91.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.333 0.587 . . . . 0.0 109.724 174.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -79.82 -32.93 40.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.651 -177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.646 ' HB3' ' HA ' ' A' ' 834' ' ' PHE . 11.4 tp -58.81 -46.97 86.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.196 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 838' ' ' ALA . . . . . 0.736 ' HA ' HD13 ' A' ' 867' ' ' ILE . . . -63.87 -42.41 97.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.696 177.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -61.47 -41.61 97.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.469 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 840' ' ' THR . . . . . 0.401 ' CG2' ' HG ' ' A' ' 825' ' ' LEU . 5.1 m -68.5 -37.59 80.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.696 0.284 . . . . 0.0 110.937 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.88 82.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.932 0.396 . . . . 0.0 110.4 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 842' ' ' HIS . . . . . 0.55 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 2.9 m170 -59.04 -46.44 88.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.849 175.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 847' ' ' VAL . 5.2 ttt85 -61.31 -44.79 96.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.019 178.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.485 HD11 HG22 ' A' ' 822' ' ' VAL . 0.3 OUTLIER -64.27 -44.33 92.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.518 -176.83 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -63.25 -35.95 82.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.579 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 846' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 845' ' ' LYS . . . -67.36 -50.83 41.63 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.579 178.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.62 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 7.3 m -63.86 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.766 0.283 . . . . 0.0 111.127 -177.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.456 ' HA ' HD12 ' A' ' 851' ' ' LEU . 4.9 m-30 -65.53 -37.58 87.14 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.31 -34.92 77.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.822 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 850' ' ' MET . . . . . 0.512 ' HG3' ' HA ' ' A' ' 847' ' ' VAL . 0.9 OUTLIER -61.1 -52.05 66.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.577 177.145 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -77.92 -5.36 50.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.973 -178.391 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.18 33.32 2.04 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.723 0.773 . . . . 0.0 110.233 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 4.3 mt -79.13 74.64 5.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.79 -1.096 . . . . 0.0 109.266 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.826 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 39.3 t -50.59 -60.57 5.15 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.826 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 33.3 Cg_exo -57.94 -39.82 83.13 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.821 1.68 . . . . 0.0 112.262 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.42 -46.53 69.43 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.574 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -62.21 -37.52 85.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -61.28 -40.93 95.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.79 -42.66 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.021 0.438 . . . . 0.0 110.303 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 21.6 m -66.9 -28.33 68.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.632 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.31 -48.52 67.35 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.261 177.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 862' ' ' THR . . . . . 0.539 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -65.47 -33.69 76.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.427 177.599 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -43.18 99.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 175.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 864' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 867' ' ' ILE . 0.1 OUTLIER -56.15 -44.67 79.5 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.225 0.536 . . . . 0.0 110.496 176.624 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 865' ' ' HIS . . . . . 0.482 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 59.1 t60 -68.18 -29.74 68.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.693 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 4.4 mt -69.74 -35.52 75.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.8 0.333 . . . . 0.0 110.379 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.736 HD13 ' HA ' ' A' ' 838' ' ' ALA . 24.8 mt -69.34 -41.37 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.393 176.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.484 ' HE ' ' HB2' ' A' ' 868' ' ' ARG . 0.0 OUTLIER -64.89 -32.66 74.47 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.059 0.457 . . . . 0.0 110.3 177.799 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.3 OUTLIER -81.23 -13.8 58.15 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 176.05 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 870' ' ' LYS . . . . . 0.45 ' HD2' ' O ' ' A' ' 867' ' ' ILE . 0.1 OUTLIER 58.67 38.16 25.09 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.296 -177.608 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.86 89.24 7.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.009 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.521 ' O ' ' HG2' ' A' ' 876' ' ' GLU . 2.1 t -53.19 -56.23 26.15 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.899 -172.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 14.7 Cg_endo -56.65 -36.72 98.39 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.396 2.064 . . . . 0.0 112.428 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -71.88 -40.46 57.61 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.7 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.611 HG21 HD21 ' A' ' 837' ' ' LEU . 55.2 mt -58.75 -56.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.482 0.182 . . . . 0.0 110.515 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 876' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 879' ' ' ILE . 7.9 pt-20 -62.35 -39.66 93.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.942 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -42.62 90.88 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.825 0.345 . . . . 0.0 110.646 178.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.539 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 3.7 m-85 -69.01 -32.92 72.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 875' ' ' ILE . 31.1 mt -63.5 -42.17 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.221 176.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -34.7 78.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.422 175.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -34.83 77.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.027 0.441 . . . . 0.0 110.606 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 882' ' ' ILE . . . . . 0.43 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 57.5 mt -68.63 -33.52 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.289 0.566 . . . . 0.0 110.002 174.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.5 -41.25 66.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.606 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 884' ' ' SER . . . . . 0.461 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 6.4 p -71.14 -30.37 66.4 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.111 177.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 885' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 62.3 t80 -57.78 -57.32 13.27 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.486 1.136 . . . . 0.0 109.789 174.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.423 HG22 ' CE1' ' A' ' 814' ' ' PHE . 1.0 OUTLIER -63.68 -31.8 54.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 113.3 -1.773 . . . . 0.0 110.45 -178.684 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 887' ' ' LYS . . . . . 0.497 ' HA ' HD12 ' A' ' 890' ' ' LEU . 4.6 mttp -63.04 -43.81 97.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 176.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.24 -23.14 38.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.013 -176.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 889' ' ' LEU . . . . . 0.631 ' HG ' ' HB3' ' A' ' 802' ' ' ASN . 1.6 mp -77.6 -28.03 51.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.552 177.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 887' ' ' LYS . 15.7 mt . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.811 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 775' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' A' ' 776' ' ' GLN . 6.4 tpp . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 776' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 775' ' ' MET . 0.0 OUTLIER 67.68 110.82 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.191 0.596 . . . . 0.0 111.426 179.553 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 67.78 -73.06 0.09 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.735 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -89.31 76.94 7.51 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.212 0.53 . . . . 0.0 109.753 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -25.58 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.976 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -154.19 0.57 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.068 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -83.64 -172.25 4.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.873 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.626 HD11 ' HG2' ' A' ' 786' ' ' GLN . 0.4 OUTLIER -58.14 -58.89 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 110.032 176.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.621 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 5.7 mm -135.39 -82.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.32 176.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -143.95 -75.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.187 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.78 104.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.47 -178.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 786' ' ' GLN . . . . . 0.626 ' HG2' HD11 ' A' ' 782' ' ' LEU . 3.2 mt-30 -53.39 -54.42 37.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.318 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 787' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 787' ' ' LEU . 4.5 tp -146.76 64.22 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.171 0.51 . . . . 0.0 110.447 -177.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -159.86 63.58 0.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.255 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.61 81.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.503 -176.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.4 53.31 0.79 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -70.84 85.03 0.67 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.25 -177.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 2.4 p -141.25 112.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.691 175.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 7.4 t -105.57 120.79 42.54 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.775 0.798 . . . . 0.0 110.55 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 794' ' ' GLU . . . . . 0.748 ' HG3' ' HD3' ' A' ' 796' ' ' PRO . 5.9 tp10 -97.1 143.99 27.4 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.429 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.47 77.0 2.32 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.954 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.748 ' HD3' ' HG3' ' A' ' 794' ' ' GLU . 98.0 Cg_endo -88.57 161.43 6.53 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.886 2.391 . . . . 0.0 112.262 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 3.8 mt -129.44 109.32 10.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.931 0.396 . . . . 0.0 110.596 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -121.27 -20.58 3.28 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.093 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 171.33 160.72 20.55 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.646 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.3 t0 53.48 75.85 0.24 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.172 0.51 . . . . 0.0 111.569 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -63.2 -29.2 70.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.378 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 802' ' ' ASN . . . . . 0.997 ' HA ' HD23 ' A' ' 805' ' ' LEU . 41.1 t30 -62.98 -42.47 99.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.51 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -54.91 -51.47 65.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 804' ' ' GLN . . . . . 0.543 ' HG3' ' N ' ' A' ' 805' ' ' LEU . 0.0 OUTLIER -64.47 -42.87 95.66 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.116 -177.534 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.997 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -73.23 -38.65 65.96 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.788 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.563 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 0.1 OUTLIER -82.78 -14.48 54.36 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.789 -178.828 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -80.95 -37.7 28.99 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -26.07 63.89 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.037 0.446 . . . . 0.0 110.644 177.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 105.92 7.96 35.08 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.795 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -88.1 8.57 26.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.298 0.571 . . . . 0.0 110.937 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.552 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 27.1 t80 -63.35 -28.95 70.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.168 177.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 812' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -59.93 -44.45 94.33 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.638 177.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 813' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 813' ' ' LEU . 7.2 mt -67.98 -35.54 78.53 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.105 0.478 . . . . 0.0 110.33 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.506 ' CZ ' HG23 ' A' ' 886' ' ' VAL . 4.1 t80 -60.91 -37.51 82.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.972 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 32.9 m -100.51 15.66 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.875 0.369 . . . . 0.0 111.084 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 816' ' ' ASP . . . . . 0.539 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 0.4 OUTLIER -106.22 -79.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.859 0.361 . . . . 0.0 111.197 -178.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.0 -18.62 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.916 -174.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.668 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 84.9 t -63.0 -53.98 50.51 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -175.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.668 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 48.3 Cg_exo -57.13 -39.53 90.05 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.94 1.76 . . . . 0.0 112.076 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 824' ' ' ARG . 4.2 t70 -69.86 -40.67 75.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.862 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -38.26 90.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.378 . . . . 0.0 110.595 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 825' ' ' LEU . 87.9 t -62.23 -43.49 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.079 0.466 . . . . 0.0 109.992 174.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 823' ' ' LYS . . . . . 0.499 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.5 OUTLIER -65.56 -35.01 79.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.701 176.58 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.5 mmp_? -56.9 -47.66 80.02 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 822' ' ' VAL . 6.2 mt -53.43 -49.7 66.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.481 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.499 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 19.8 m-85 -55.66 -47.53 76.55 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.394 0.616 . . . . 0.0 110.839 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.0 m -67.16 -42.82 83.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.958 -172.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 8.8 mm-40 -79.2 -29.66 42.97 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.017 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.54 -33.28 75.54 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 120.841 0.353 . . . . 0.0 110.396 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.84 87.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.168 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.38 8.86 31.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.65 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.81 36.26 24.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.234 177.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -86.16 71.92 10.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.567 0.699 . . . . 0.0 109.496 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.493 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 77.9 m-85 -63.61 -26.08 68.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.729 -177.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.79 99.94 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.296 0.569 . . . . 0.0 110.037 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -74.23 -35.3 63.85 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.723 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.524 ' HB3' HD12 ' A' ' 867' ' ' ILE . 0.6 OUTLIER -58.61 -42.98 89.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.267 175.67 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.4 94.94 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.657 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -59.71 -44.32 93.75 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.648 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 840' ' ' THR . . . . . 0.836 ' HA ' ' HD3' ' A' ' 843' ' ' ARG . 3.7 m -66.51 -41.58 88.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.385 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.8 -31.25 72.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.027 0.441 . . . . 0.0 110.467 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 842' ' ' HIS . . . . . 0.694 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 36.6 m170 -69.55 -40.78 76.63 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.317 176.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.836 ' HD3' ' HA ' ' A' ' 840' ' ' THR . 8.8 mtp180 -57.86 -51.4 69.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.219 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.46 ' HA ' HG22 ' A' ' 847' ' ' VAL . 5.8 mt -62.16 -47.91 82.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.602 -175.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.694 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.1 OUTLIER -61.58 -34.5 75.72 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.438 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -70.77 -49.05 31.26 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.619 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.55 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 20.1 m -66.66 -33.65 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.809 0.305 . . . . 0.0 111.069 -178.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.424 ' CD2' ' HA3' ' A' ' 856' ' ' GLY . 6.3 m-85 -68.17 -43.64 77.74 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 849' ' ' ALA . . . . . 0.503 ' HB2' ' HD3' ' A' ' 857' ' ' LYS . . . -62.36 -34.54 76.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.017 0.437 . . . . 0.0 110.411 175.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 9.7 tpt -64.65 -44.4 90.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.795 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 17.9 mt -74.59 -13.45 60.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.596 177.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.0 OUTLIER 80.89 28.52 0.2 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.56 176.875 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.78 82.52 7.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.634 177.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.429 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 1.2 t -54.03 -57.2 19.05 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.396 -176.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 19.1 Cg_endo -59.05 -34.98 99.13 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.229 1.952 . . . . 0.0 112.01 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 856' ' ' GLY . . . . . 0.424 ' HA3' ' CD2' ' A' ' 848' ' ' PHE . . . -66.36 -44.05 91.36 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.846 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 857' ' ' LYS . . . . . 0.503 ' HD3' ' HB2' ' A' ' 849' ' ' ALA . 0.0 OUTLIER -63.36 -40.22 96.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.549 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 858' ' ' GLN . . . . . 0.443 ' HA ' ' OE1' ' A' ' 858' ' ' GLN . 1.1 tp-100 -56.22 -44.53 79.62 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.857 177.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.444 HD23 ' CE2' ' A' ' 878' ' ' TYR . 3.8 mt -61.43 -41.41 97.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.682 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 55.5 m -67.48 -31.31 71.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.26 -46.48 76.92 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.887 0.375 . . . . 0.0 110.126 177.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -36.51 83.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.466 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.665 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -59.84 -46.78 88.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.964 175.534 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.33 -43.97 79.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 110.234 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 865' ' ' HIS . . . . . 0.446 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 1.7 t-80 -59.55 -40.91 88.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.557 176.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 866' ' ' LEU . . . . . 0.464 HD22 ' HA3' ' A' ' 874' ' ' GLY . 16.8 mt -71.07 -37.83 72.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.96 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' ' 863' ' ' LEU . 10.5 mm -64.57 -45.24 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.281 0.562 . . . . 0.0 109.848 175.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.555 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.02 -32.39 74.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.132 -177.678 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.555 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 31.5 mm-40 -95.64 -2.68 47.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.745 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp 62.87 40.46 9.6 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.355 175.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -94.02 88.5 5.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.874 0.369 . . . . 0.0 110.207 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.51 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 14.6 t -50.56 -52.48 55.35 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -175.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 9.7 Cg_endo -54.24 -45.51 40.47 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.257 1.972 . . . . 0.0 112.437 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 874' ' ' GLY . . . . . 0.464 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -68.23 -38.8 88.1 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.08 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.474 HG12 HD13 ' A' ' 867' ' ' ILE . 59.8 mt -56.37 -59.55 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 122.256 0.222 . . . . 0.0 110.813 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.97 -36.39 83.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.904 -177.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -61.51 -48.93 78.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.819 0.342 . . . . 0.0 110.708 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.665 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.6 OUTLIER -73.52 -31.75 63.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.484 -176.802 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 875' ' ' ILE . 93.4 mt -59.77 -44.87 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.1 m -67.41 -28.86 68.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.697 177.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 881' ' ' ASP . . . . . 0.525 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -69.92 -35.79 74.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.044 0.45 . . . . 0.0 110.569 177.768 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 86.3 mt -70.67 -33.12 51.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.236 0.541 . . . . 0.0 109.82 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.14 -41.31 74.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.568 0.699 . . . . 0.0 109.31 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.3 p -69.96 -30.23 67.54 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.112 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -57.17 11.0 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.983 177.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.673 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 4.9 p -62.87 -33.04 58.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.505 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -56.83 -49.23 76.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.007 0.432 . . . . 0.0 111.148 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.99 -15.99 45.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.559 -176.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 889' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' A' ' 802' ' ' ASN . 0.1 OUTLIER -81.7 -39.32 24.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.903 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 30.3 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.143 -179.045 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.971 0.415 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -122.76 106.42 10.91 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.66 -44.7 0.6 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.714 0.806 . . . . 0.0 111.064 -176.468 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -83.42 75.04 10.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.95 0.405 . . . . 0.0 110.191 177.022 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 2.9 t -70.81 -74.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.241 177.601 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 2.3 mt 58.64 -98.45 0.08 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.45 177.32 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -142.42 -91.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.157 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.757 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 0.7 OUTLIER -179.85 -54.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.785 178.021 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.757 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 0.5 OUTLIER -136.46 -111.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 172.781 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.52 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 1.2 pt-20 -156.46 -48.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.115 0.483 . . . . 0.0 109.769 175.798 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.42 ' HB ' ' N ' ' A' ' 789' ' ' GLN . 2.4 m -105.72 25.93 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.209 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 53.1 -106.95 0.33 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.974 -177.345 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -57.38 9.67 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.747 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . 173.65 27.52 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.907 -178.738 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 789' ' ' GLN . . . . . 0.42 ' N ' ' HB ' ' A' ' 785' ' ' VAL . 0.0 OUTLIER 54.5 65.79 1.41 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.367 0.603 . . . . 0.0 109.477 -171.098 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -80.86 177.39 9.07 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.231 -169.433 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.74 146.11 37.31 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.239 -178.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 3.6 m -88.69 14.06 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.976 0.417 . . . . 0.0 110.602 179.241 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 63.18 49.49 3.32 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.955 -177.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -140.66 -51.21 0.46 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.552 178.268 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 50.9 85.71 0.18 Allowed Pre-proline 0 N--CA 1.463 0.211 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.364 -178.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.4 ' HB3' ' HG3' ' A' ' 855' ' ' PRO . 52.1 Cg_exo -55.16 106.8 0.2 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.04 2.493 . . . . 0.0 111.929 -179.26 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 1.6 mt 62.77 -96.73 0.06 Allowed 'General case' 0 CA--C 1.531 0.248 0 O-C-N 123.897 0.748 . . . . 0.0 110.636 -177.529 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 105.84 42.23 1.72 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.009 179.058 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -127.94 48.15 0.98 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.036 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.98 59.07 3.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.995 0.426 . . . . 0.0 110.821 179.274 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -54.95 -47.55 74.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.898 -174.478 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 802' ' ' ASN . . . . . 0.633 ' HA ' HD23 ' A' ' 805' ' ' LEU . 0.0 OUTLIER -66.45 -33.85 76.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.66 0.267 . . . . 0.0 110.903 -177.651 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.82 67.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.802 0.334 . . . . 0.0 110.542 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -63.33 -48.23 78.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.372 176.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -68.53 -23.79 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.304 0.573 . . . . 0.0 110.587 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.64 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 9.4 t60 -73.78 -40.63 63.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.281 174.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.46 78.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.276 -178.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -19.74 61.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.134 0.492 . . . . 0.0 110.447 176.071 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 91.99 7.56 64.13 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.381 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.473 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.4 OUTLIER -91.24 -3.43 56.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.791 0.329 . . . . 0.0 111.277 -175.519 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.64 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 1.1 t80 -63.01 -30.58 71.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.42 . . . . 0.0 110.22 176.199 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 812' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -66.57 -25.89 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.728 177.748 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.53 -38.26 24.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.736 176.575 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.421 ' CZ ' HG22 ' A' ' 886' ' ' VAL . 88.4 t80 -57.87 -49.28 77.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.974 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 29.1 m -80.38 -0.06 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 0.0 111.424 -178.469 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 816' ' ' ASP . . . . . 0.541 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 11.0 t0 -96.24 -64.27 1.07 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.411 -176.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.96 -32.01 15.41 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -173.155 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.705 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 90.7 t -59.93 -54.86 51.32 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.719 -173.777 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.705 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.5 Cg_exo -58.75 -32.01 96.17 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.129 1.886 . . . . 0.0 112.626 176.382 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -74.55 -44.64 50.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 110.524 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.76 -35.32 80.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.766 177.182 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.04 -43.32 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.093 174.645 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -37.8 86.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.85 175.529 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.685 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -60.36 -48.14 83.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.968 174.401 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 13.8 mt -53.4 -45.46 69.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 177.546 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -56.54 -42.81 79.13 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.468 175.648 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 25.4 m -71.65 -46.56 58.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.551 -175.064 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.685 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 4.3 mm-40 -68.5 -31.83 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.709 0.29 . . . . 0.0 110.358 -179.153 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.6 85.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.246 175.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.3 69.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 179.075 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 2.2 m -85.33 -9.11 58.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.046 179.079 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.15 32.17 17.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.615 0.722 . . . . 0.0 110.141 -178.63 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 836' ' ' ALA . 1.0 OUTLIER -95.47 77.89 3.38 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.388 178.133 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 46.6 m-85 -58.84 -29.8 67.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.839 -178.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.28 93.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.109 0.48 . . . . 0.0 109.827 175.678 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 836' ' ' ALA . . . . . 0.402 ' HB3' ' HB3' ' A' ' 833' ' ' ASP . . . -75.27 -35.38 61.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.72 179.442 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.485 ' HA ' HD12 ' A' ' 837' ' ' LEU . 1.5 tp -57.86 -49.08 77.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.301 174.371 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.69 86.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.825 178.073 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -63.94 -45.81 87.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.892 177.627 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.4 m -69.78 -33.46 72.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.78 0.324 . . . . 0.0 110.964 179.409 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.64 97.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.039 0.447 . . . . 0.0 110.047 174.584 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -63.65 -32.99 74.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.158 175.39 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -49.97 69.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.192 177.492 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.552 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.1 OUTLIER -66.91 -40.99 87.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.314 -178.814 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.425 ' HG3' ' HG3' ' A' ' 857' ' ' LYS . 29.0 ttmt -57.31 -44.06 83.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.097 175.119 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.33 69.23 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.507 -0.77 . . . . 0.0 113.298 -178.228 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.552 HG22 ' HA ' ' A' ' 844' ' ' LEU . 24.3 m -70.16 -39.1 76.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 117.313 0.556 . . . . 0.0 111.15 -178.015 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.543 ' HA ' HD12 ' A' ' 851' ' ' LEU . 3.8 m-30 -69.28 -39.37 78.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.553 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.98 -31.66 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.598 175.443 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -66.27 -45.64 79.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.363 176.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 848' ' ' PHE . 1.3 mt -75.03 -9.39 58.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 178.228 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 77.43 24.49 0.8 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.94 176.808 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 853' ' ' LEU . 6.6 mt -83.49 85.65 7.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.548 176.336 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.482 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 17.2 t -58.97 -54.99 51.02 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.653 -175.504 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 12.0 Cg_endo -55.33 -38.71 93.6 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.454 2.103 . . . . 0.0 112.275 178.249 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.49 -47.49 69.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.604 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 857' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 861' ' ' GLU . 1.7 tttp -61.86 -38.88 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 177.06 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 858' ' ' GLN . . . . . 0.477 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 37.6 mt-30 -62.36 -37.63 86.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.177 178.41 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.498 HD23 ' CE2' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -60.87 -42.24 97.5 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.65 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 14.6 m -68.0 -29.83 68.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.157 177.423 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 861' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 857' ' ' LYS . 22.6 mm-40 -62.15 -51.6 67.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 110.18 175.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 862' ' ' THR . . . . . 0.639 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.5 m -64.56 -34.08 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.77 178.527 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.481 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -61.74 -48.65 79.77 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.158 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.03 -42.02 79.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.072 0.463 . . . . 0.0 110.14 175.889 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 865' ' ' HIS . . . . . 0.747 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 2.7 t-160 -61.98 -39.51 92.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.929 177.381 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 866' ' ' LEU . . . . . 0.54 HD22 ' HA3' ' A' ' 874' ' ' GLY . 20.3 mt -68.61 -41.54 79.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 179.113 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.42 ' HA ' HD11 ' A' ' 875' ' ' ILE . 22.8 mt -67.65 -42.2 86.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.82 177.844 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.747 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -64.48 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.233 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 6.7 mm-40 -89.56 -4.29 57.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 110.308 179.373 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp 60.14 40.07 18.74 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.341 179.32 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -93.53 83.09 4.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.863 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.556 ' HA ' HD12 ' A' ' 875' ' ' ILE . 0.2 OUTLIER -48.53 -54.85 22.7 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -175.723 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 12.3 Cg_endo -55.95 -41.61 75.3 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.399 2.066 . . . . 0.0 112.602 -179.225 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 874' ' ' GLY . . . . . 0.54 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -67.44 -37.14 89.9 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.98 178.474 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.57 ' O ' HG12 ' A' ' 879' ' ' ILE . 69.7 mt -59.13 -56.81 14.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.361 0.124 . . . . 0.0 110.731 179.246 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 876' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 5.1 pt-20 -66.63 -32.15 73.29 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.916 -177.642 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -58.85 -48.87 79.84 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.031 0.443 . . . . 0.0 109.99 175.54 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.639 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.2 OUTLIER -67.31 -31.88 72.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.965 179.577 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 875' ' ' ILE . 42.5 mm -54.78 -49.13 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.585 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -32.89 74.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.268 178.317 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -72.06 -36.86 69.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.065 0.459 . . . . 0.0 110.938 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 10.1 mt -70.44 -32.81 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 173.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 883' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 8.7 t70 -71.57 -37.99 71.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.377 -177.782 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 884' ' ' SER . . . . . 0.4 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 3.7 p -73.29 -29.71 62.91 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.176 176.391 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.67 -56.62 12.6 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 122.193 0.997 . . . . 0.0 110.045 176.231 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.47 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 2.5 t -59.53 -32.75 49.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.713 177.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 887' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 11.0 tttt -60.64 -41.38 94.8 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.48 175.491 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -23.83 48.02 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.812 0.339 . . . . 0.0 111.06 -179.531 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 4.6 mt -78.88 -27.52 44.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.33 178.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 51.3 mt . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.398 177.78 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 2.7 ttp . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 67.93 109.14 0.05 OUTLIER 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.867 0.729 . . . . 0.0 111.815 178.724 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 78.34 -64.67 0.26 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.204 175.605 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -107.37 66.44 0.67 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.848 -178.354 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 2.4 t -89.78 -59.97 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.305 0.574 . . . . 0.0 109.902 178.668 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 5.5 mt -143.36 94.55 2.63 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.695 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -95.63 160.03 14.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.879 0.371 . . . . 0.0 110.748 -177.102 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.597 HD23 ' H ' ' A' ' 782' ' ' LEU . 1.0 OUTLIER -84.57 -47.72 10.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.386 174.3 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.589 ' N ' ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -149.08 -129.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.424 174.296 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.533 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 0.0 OUTLIER -122.78 -64.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.975 0.417 . . . . 0.0 111.038 179.775 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 1.9 m -94.37 8.55 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.656 -172.231 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.74 33.56 21.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.533 177.091 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 6.3 mt 68.62 -5.9 0.91 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.244 0.618 . . . . 0.0 112.352 177.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -84.43 52.24 2.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.058 0.456 . . . . 0.0 110.827 -178.454 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -138.16 105.14 5.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.922 -179.857 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.431 ' HG2' ' H ' ' A' ' 790' ' ' GLU . 3.2 pt-20 -88.78 116.1 26.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.386 0.612 . . . . 0.0 109.733 177.824 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.21 77.32 1.65 Allowed 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.145 -175.844 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 2.0 p -74.08 96.62 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.446 0.641 . . . . 0.0 109.488 175.48 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.77 110.75 19.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.273 -179.331 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.51 -179.68 6.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.25 -179.596 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.21 105.3 57.05 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.112 178.723 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -52.93 143.2 50.1 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.9 2.4 . . . . 0.0 111.974 177.036 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.64 107.7 1.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.439 -178.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 106.33 35.18 2.95 Favored Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 -177.575 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -138.33 -66.4 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.512 -176.2 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -136.08 67.51 1.47 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.21 0.529 . . . . 0.0 110.694 -177.719 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -71.42 -31.67 67.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.024 -178.2 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -63.25 -51.14 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.02 -177.168 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.78 85.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.913 0.387 . . . . 0.0 110.493 -179.118 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -65.27 -46.34 80.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.635 178.563 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 805' ' ' LEU . . . . . 0.532 HD21 ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -66.0 -30.24 70.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.219 0.533 . . . . 0.0 110.537 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -72.72 -44.06 62.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.64 177.229 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -68.78 -30.21 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.906 -176.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.6 p -76.97 -13.16 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.959 -179.436 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 82.38 -0.38 89.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.29 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.451 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.7 OUTLIER -84.78 4.76 31.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.963 0.411 . . . . 0.0 110.906 -177.48 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.532 ' HD1' HD21 ' A' ' 805' ' ' LEU . 46.4 t80 -57.85 -31.9 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.457 176.366 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.68 91.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.104 178.842 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.29 -34.56 78.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.641 -178.338 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.462 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 3.4 t80 -60.63 -42.7 97.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.856 -176.418 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 815' ' ' VAL . . . . . 0.406 HG13 HD21 ' A' ' 890' ' ' LEU . 0.0 OUTLIER -103.2 13.68 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.035 0.445 . . . . 0.0 111.475 -177.609 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -112.16 -74.0 0.65 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.253 179.23 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 817' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 821' ' ' ASP . 1.5 t -85.55 -23.41 27.68 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -174.048 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.78 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 97.3 t -66.14 -57.93 11.98 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.715 -175.229 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.78 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 26.0 Cg_exo -63.4 -37.2 50.79 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 121.839 1.692 . . . . 0.0 111.856 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.83 -33.04 65.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -177.839 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 821' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 817' ' ' THR . 0.4 OUTLIER -66.42 -39.21 88.83 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 175.869 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 15.7 t -60.29 -44.14 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.08 174.471 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -46.05 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.282 175.415 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.708 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 9.4 ttt180 -58.68 -48.18 81.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.362 177.54 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 5.7 mt -54.77 -45.27 74.22 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.935 178.185 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -33.66 75.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.434 177.768 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 29.1 m -70.37 -42.4 71.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.074 178.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.708 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 1.6 mm-40 -64.41 -36.41 84.08 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.228 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.42 97.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 178.65 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -66.31 -17.0 64.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.249 178.645 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.67 6.06 25.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.69 177.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 56.02 31.84 18.8 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.945 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -87.47 72.97 9.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.68 179.322 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.669 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 44.7 m-85 -63.54 -24.8 67.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.57 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.22 97.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.253 0.549 . . . . 0.0 109.733 174.309 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.54 -33.71 60.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.861 179.234 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.671 HD12 ' HB2' ' A' ' 828' ' ' GLU . 0.7 OUTLIER -55.97 -53.26 59.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.36 175.308 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.84 99.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.081 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -60.81 -47.23 87.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.199 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.9 m -68.19 -39.22 82.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.948 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.48 -31.31 72.31 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.192 0.52 . . . . 0.0 110.64 177.784 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -68.23 -48.35 65.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.84 174.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -47.4 84.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.273 178.001 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.522 ' HA ' HG23 ' A' ' 847' ' ' VAL . 0.1 OUTLIER -61.39 -38.15 86.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.768 -178.272 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.553 ' HD2' ' HG2' ' A' ' 861' ' ' GLU . 0.7 OUTLIER -54.09 -47.42 71.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.345 173.586 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -62.46 -42.1 99.73 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.283 -0.872 . . . . 0.0 112.865 -178.721 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.522 HG23 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -62.56 -50.58 79.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 CA-C-N 116.702 0.251 . . . . 0.0 110.974 -179.343 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.53 ' HD2' ' HA3' ' A' ' 856' ' ' GLY . 4.8 m-85 -65.53 -39.07 91.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.78 -176.492 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.77 87.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.615 177.102 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 850' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 847' ' ' VAL . 0.8 OUTLIER -82.28 -15.71 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.93 0.395 . . . . 0.0 110.785 178.25 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' A' ' 848' ' ' PHE . 32.3 mt -91.38 -0.74 57.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.008 176.532 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.53 15.48 4.14 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.042 174.047 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 24.4 mt -89.35 75.55 7.68 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.818 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.517 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -55.17 -55.7 36.52 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.437 -175.791 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.517 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 31.5 Cg_exo -59.66 -36.34 92.43 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.842 1.694 . . . . 0.0 112.073 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 856' ' ' GLY . . . . . 0.53 ' HA3' ' HD2' ' A' ' 848' ' ' PHE . . . -66.5 -43.49 92.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.031 176.52 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -39.41 94.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.763 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 858' ' ' GLN . . . . . 0.406 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 0.0 OUTLIER -63.62 -35.07 79.31 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.357 177.617 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.39 -42.45 99.43 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 174.679 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.422 ' HB2' ' HD3' ' A' ' 845' ' ' LYS . 25.6 m -67.25 -27.6 67.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.17 177.861 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 861' ' ' GLU . . . . . 0.553 ' HG2' ' HD2' ' A' ' 845' ' ' LYS . 15.1 mm-40 -66.72 -54.13 26.22 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.23 0.538 . . . . 0.0 109.644 175.55 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.3 m -62.33 -37.51 85.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.807 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -57.83 -51.46 69.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.759 177.085 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.41 -41.44 80.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.814 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -63.44 -38.17 90.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.021 178.237 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 7.5 mt -73.85 -27.32 61.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.882 0.372 . . . . 0.0 110.778 179.388 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.596 HG12 HD23 ' A' ' 837' ' ' LEU . 70.6 mt -74.78 -41.16 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.538 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.506 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -63.95 -37.47 87.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.307 176.872 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.506 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.4 OUTLIER -81.21 1.06 33.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 176.359 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp 53.15 48.98 21.0 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.75 175.382 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.06 87.3 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.185 178.26 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.664 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 74.8 t -51.98 -53.62 49.7 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.564 -175.468 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.664 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.8 Cg_exo -55.58 -39.88 88.54 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.953 1.769 . . . . 0.0 112.176 179.234 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.05 93.6 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.581 -0.818 . . . . 0.0 111.482 177.019 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.524 HD11 ' HA ' ' A' ' 867' ' ' ILE . 52.9 mt -58.25 -54.38 33.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.625 0.25 . . . . 0.0 110.845 178.512 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -56.66 -45.35 81.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.073 -178.018 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -40.5 95.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.292 -177.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -73.48 -32.19 64.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -178.413 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.444 ' HA ' HD12 ' A' ' 882' ' ' ILE . 89.4 mt -61.96 -46.77 95.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 0.0 110.438 176.126 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -28.95 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.211 177.303 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.32 -34.96 79.15 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.301 0.572 . . . . 0.0 110.519 174.551 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 882' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 879' ' ' ILE . 53.1 mt -68.95 -32.74 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.937 172.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.6 -43.42 66.25 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.616 -178.489 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.3 p -66.69 -32.77 74.29 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.057 177.252 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -57.42 -58.37 8.59 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 122.408 1.099 . . . . 0.0 109.793 174.53 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.438 HG22 ' CZ ' ' A' ' 814' ' ' PHE . 1.0 OUTLIER -64.05 -35.82 74.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 113.329 -1.759 . . . . 0.0 110.514 -177.529 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -55.06 -51.84 65.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.108 176.403 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -33.13 73.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.822 -178.067 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -29.84 64.23 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -177.732 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.406 HD21 HG13 ' A' ' 815' ' ' VAL . 55.5 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.871 -0.585 . . . . 0.0 111.018 178.434 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 775' ' ' MET . . . . . 0.479 ' HG2' ' HA ' ' A' ' 779' ' ' VAL . 40.4 ttp . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 121.122 0.487 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -117.36 -98.06 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -177.234 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.449 ' H ' ' HG3' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -55.64 -42.99 75.78 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -173.923 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -82.51 -23.74 34.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.338 -175.676 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 779' ' ' VAL . . . . . 0.479 ' HA ' ' HG2' ' A' ' 775' ' ' MET . 1.7 t 49.37 -107.84 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.523 0.515 . . . . 0.0 110.342 -174.175 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 780' ' ' LEU . . . . . 0.406 ' H ' ' HB ' ' A' ' 779' ' ' VAL . 0.1 OUTLIER -141.35 -69.21 0.38 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.153 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 781' ' ' GLN . . . . . 0.52 ' HB3' ' H ' ' A' ' 782' ' ' LEU . 0.6 OUTLIER -162.76 -90.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.335 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.787 ' HG ' HG12 ' A' ' 783' ' ' ILE . 30.8 tp -166.78 -84.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.453 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.787 HG12 ' HG ' ' A' ' 782' ' ' LEU . 41.0 mm -105.6 -78.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.01 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.451 ' HB3' HG22 ' A' ' 785' ' ' VAL . 1.6 mm-40 -174.59 -44.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.565 176.747 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.451 HG22 ' HB3' ' A' ' 784' ' ' GLU . 0.0 OUTLIER -158.4 112.05 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-O 120.973 0.416 . . . . 0.0 110.035 -174.778 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -121.65 123.26 41.49 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.008 174.886 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 1.1 mt 60.39 35.16 20.56 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.527 0.517 . . . . 0.0 110.541 -177.813 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -129.88 -37.85 1.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.554 -176.573 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.42 81.18 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.922 0.392 . . . . 0.0 110.871 -176.697 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 790' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 791' ' ' GLU . 26.9 mm-40 -135.57 176.3 8.8 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 177.547 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 791' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 790' ' ' GLU . 11.8 pt-20 167.94 161.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.377 -1.283 . . . . 0.0 108.865 -179.653 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 12.4 p -163.25 150.07 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.794 0.33 . . . . 0.0 110.987 -177.505 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -156.79 149.14 23.24 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.793 176.886 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.04 165.52 19.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.132 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 16.1 m -160.33 101.31 1.38 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 120.846 0.355 . . . . 0.0 111.057 -179.218 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.432 ' HB2' ' H ' ' A' ' 797' ' ' LEU . 97.1 Cg_endo -85.65 -115.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.915 2.41 . . . . 0.0 111.51 174.665 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.432 ' H ' ' HB2' ' A' ' 796' ' ' PRO . 0.9 OUTLIER 63.11 82.85 0.17 Allowed 'General case' 0 C--O 1.236 0.367 0 C-N-CA 122.847 0.459 . . . . 0.0 111.901 173.596 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -116.2 -61.22 0.34 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.543 176.168 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -148.1 14.27 1.3 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 176.688 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 800' ' ' ASP . . . . . 0.728 ' HB2' ' HB3' ' A' ' 803' ' ' ALA . 0.6 OUTLIER -88.35 68.01 8.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.293 -0.954 . . . . 0.0 110.808 -175.548 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -61.22 -40.13 92.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.548 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -64.64 -44.81 89.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.469 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 803' ' ' ALA . . . . . 0.728 ' HB3' ' HB2' ' A' ' 800' ' ' ASP . . . -65.67 -43.08 90.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.517 178.431 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -60.31 -45.83 92.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 178.266 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.25 -30.93 71.46 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.265 0.555 . . . . 0.0 110.743 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -78.48 -41.15 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.088 178.67 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.08 82.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.147 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 808' ' ' SER . . . . . 0.426 ' HB2' ' CD2' ' A' ' 810' ' ' TYR . 1.6 p -70.8 -33.33 70.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.994 0.426 . . . . 0.0 110.203 178.254 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 100.94 -10.33 58.6 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.466 176.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.426 ' CD2' ' HB2' ' A' ' 808' ' ' SER . 13.8 m-85 -80.48 20.73 0.68 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.107 0.48 . . . . 0.0 111.336 -175.796 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.59 -31.54 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.141 176.179 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.81 85.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.916 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -40.71 96.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.093 0.473 . . . . 0.0 110.53 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.413 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 64.8 t80 -64.91 -41.37 95.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.349 -178.17 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 815' ' ' VAL . . . . . 0.695 HG12 HD22 ' A' ' 890' ' ' LEU . 27.7 m -91.85 11.38 2.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.959 -177.622 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -112.87 -66.11 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.026 178.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.73 -34.37 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.933 -173.7 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.484 ' N ' ' HD2' ' A' ' 819' ' ' PRO . 98.2 t -60.33 -52.62 71.75 Favored Pre-proline 0 CA--C 1.537 0.452 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.425 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 818' ' ' VAL . 12.3 Cg_endo -57.24 -39.49 89.77 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 121.936 1.757 . . . . 0.0 112.561 177.601 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -73.24 -41.69 63.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.719 -178.773 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -43.72 98.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.178 179.134 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 31.7 t -61.93 -43.51 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 176.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -63.92 -44.47 92.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 179.041 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -62.8 -38.4 90.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.311 178.304 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.22 -45.49 79.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.956 174.499 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -59.09 -45.94 89.55 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.647 177.391 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 6.8 m -64.28 -45.45 87.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.047 -175.884 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -76.45 -25.26 54.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.326 -177.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.66 94.68 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.028 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.18 75.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.139 176.593 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -2.96 58.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.448 178.68 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.9 m 63.6 28.65 15.17 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.132 0.491 . . . . 0.0 110.509 -178.51 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -85.55 74.0 10.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.77 179.082 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.609 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 20.0 m-85 -64.86 -23.14 67.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.058 -177.525 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.09 -39.47 86.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.078 0.466 . . . . 0.0 110.016 175.127 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.6 -34.95 60.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.44 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.609 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 1.4 mp -57.62 -47.14 83.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.299 175.129 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.83 99.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.996 178.253 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -60.26 -46.93 88.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 111.019 178.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.3 m -68.58 -38.79 80.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.397 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.92 89.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.074 0.464 . . . . 0.0 110.271 176.66 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 842' ' ' HIS . . . . . 0.459 ' HD1' ' CD ' ' A' ' 864' ' ' GLU . 3.1 t60 -64.05 -39.42 94.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.183 175.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.497 ' O ' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -64.42 -45.07 89.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.604 177.909 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 844' ' ' LEU . 11.8 mt -64.28 -42.47 96.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.462 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.474 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 10.0 ttmt -55.54 -44.17 76.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.053 175.679 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -61.21 -50.43 67.25 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.794 -0.639 . . . . 0.0 113.201 -179.533 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 843' ' ' ARG . 0.7 OUTLIER -67.52 -39.17 81.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 117.122 0.461 . . . . 0.0 111.52 -176.858 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.24 -41.26 94.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.969 0.414 . . . . 0.0 110.077 178.502 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 849' ' ' ALA . . . . . 0.547 ' HA ' ' HE3' ' A' ' 857' ' ' LYS . . . -66.71 -36.02 81.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.787 176.442 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.5 ttt -65.83 -42.77 90.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.073 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 11.4 mt -84.61 -10.16 57.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.409 177.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 62.12 42.28 9.92 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.973 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.577 HD22 ' HE2' ' A' ' 885' ' ' TYR . 0.7 OUTLIER -82.05 82.81 7.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.714 174.919 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.788 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 2.4 t -45.56 -61.66 2.26 Favored Pre-proline 0 N--CA 1.471 0.612 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -169.594 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.788 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 36.9 Cg_exo -58.11 -43.1 50.74 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 121.855 1.703 . . . . 0.0 112.223 -177.804 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -68.44 -38.0 86.35 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.244 179.642 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 857' ' ' LYS . . . . . 0.66 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 0.0 OUTLIER -67.88 -36.87 81.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.257 178.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -64.66 -36.49 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.156 0.503 . . . . 0.0 109.771 175.158 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.0 -48.36 79.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.179 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.66 ' SG ' ' HA ' ' A' ' 857' ' ' LYS . 0.8 OUTLIER -72.12 -25.85 61.89 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.831 -178.65 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.0 -53.91 51.43 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.221 0.534 . . . . 0.0 110.028 174.58 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 862' ' ' THR . . . . . 0.45 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -66.99 -34.36 77.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.639 178.405 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.591 ' O ' HG12 ' A' ' 867' ' ' ILE . 0.0 OUTLIER -58.64 -50.17 74.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.327 175.766 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 864' ' ' GLU . . . . . 0.459 ' CD ' ' HD1' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -56.37 -41.61 76.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.133 0.492 . . . . 0.0 110.733 179.004 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.93 -39.47 90.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.68 177.171 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 70.1 mt -69.47 -30.1 67.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.476 0.179 . . . . 0.0 110.685 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 863' ' ' LEU . 14.6 mm -68.33 -42.82 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 175.85 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.486 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.22 -34.8 78.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.727 179.482 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.486 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 38.3 mm-40 -87.04 -8.85 56.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.985 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.28 42.07 18.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.228 -178.538 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -84.73 84.49 7.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.475 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.2 t -50.03 -55.06 26.88 Favored Pre-proline 0 CA--C 1.537 0.443 0 O-C-N 123.574 0.546 . . . . 0.0 112.326 -175.392 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.4 Cg_endo -56.52 -43.83 51.57 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.153 1.902 . . . . 0.0 112.402 178.013 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -64.68 -42.89 97.04 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.802 177.636 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.477 HG12 HD13 ' A' ' 867' ' ' ILE . 54.8 mt -58.16 -50.78 77.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 177.058 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.6 -48.65 76.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.458 178.688 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -61.03 -49.51 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.275 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.45 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 8.7 m-85 -72.31 -33.98 67.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -174.931 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 16.0 mt -61.95 -43.37 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.003 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 6.2 m -67.98 -31.73 71.65 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.758 177.292 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 881' ' ' ASP . . . . . 0.439 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.7 OUTLIER -70.42 -38.57 74.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.021 0.439 . . . . 0.0 110.741 179.774 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 76.9 mt -69.11 -36.16 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.374 0.607 . . . . 0.0 109.875 174.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 883' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 9.7 t70 -72.47 -42.66 64.69 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.327 -178.008 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 884' ' ' SER . . . . . 0.622 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 17.6 p -64.73 -28.4 69.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.271 176.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 885' ' ' TYR . . . . . 0.577 ' HE2' HD22 ' A' ' 853' ' ' LEU . 8.0 t80 -56.07 -53.33 58.35 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 171.234 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.48 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.8 m -64.7 -31.52 54.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.454 176.325 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 887' ' ' LYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 0.9 OUTLIER -69.71 -20.43 63.53 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.659 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -30.71 17.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.934 0.397 . . . . 0.0 110.125 174.345 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.04 -50.84 10.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.657 -178.334 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.695 HD22 HG12 ' A' ' 815' ' ' VAL . 1.1 pp . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.046 -176.338 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.615 0.245 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 776' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -64.57 125.21 23.97 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.018 176.424 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 777' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 776' ' ' GLN . 3.2 mt-10 77.14 -72.84 0.09 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 124.065 0.853 . . . . 0.0 110.633 176.669 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -81.87 66.11 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.155 178.355 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 1.5 t -68.98 102.74 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.805 -178.615 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 15.8 mt -79.34 63.0 3.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.259 0.552 . . . . 0.0 110.197 179.36 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -131.58 -53.18 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.043 -178.763 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 37.7 tp 50.43 75.33 0.18 Allowed 'General case' 0 C--O 1.238 0.492 0 O-C-N 123.508 0.505 . . . . 0.0 109.739 -175.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.57 HG22 ' HG2' ' A' ' 784' ' ' GLU . 5.9 mt 69.8 -76.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 115.465 -0.789 . . . . 0.0 108.873 -170.366 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.57 ' HG2' HG22 ' A' ' 783' ' ' ILE . 9.3 pt-20 -173.45 25.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.313 174.119 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 1.9 p -97.52 -21.8 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.246 -176.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.43 -60.09 0.43 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.722 0.809 . . . . 0.0 112.162 179.225 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.14 -78.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.675 -178.412 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -164.68 138.61 5.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.891 -176.316 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.25 173.01 12.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.8 175.677 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -67.73 152.96 44.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.026 0.441 . . . . 0.0 110.035 177.208 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.39 168.87 12.77 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.339 -170.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.78 116.65 20.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.598 177.727 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -47.27 13.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.245 176.349 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.95 167.17 0.17 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.534 -179.302 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 795' ' ' SER . . . . . 0.417 ' HA ' ' HD2' ' A' ' 796' ' ' PRO . 0.1 OUTLIER 51.76 106.15 0.02 OUTLIER Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.126 0.97 . . . . 0.0 112.121 -177.807 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 796' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 795' ' ' SER . 8.5 Cg_endo -50.92 -88.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.867 2.378 . . . . 0.0 111.596 178.204 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 797' ' ' LEU . . . . . 0.812 HD12 ' HA ' ' A' ' 801' ' ' GLU . 2.8 mm? -96.29 -54.87 3.13 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.354 0.597 . . . . 0.0 109.404 169.167 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 108.78 -54.87 0.53 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -176.181 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 178.32 132.34 1.7 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 176.642 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 800' ' ' ASP . . . . . 0.764 ' HB3' ' HB3' ' A' ' 803' ' ' ALA . 0.3 OUTLIER 65.92 89.02 0.1 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 122.597 0.359 . . . . 0.0 110.751 179.736 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 801' ' ' GLU . . . . . 0.812 ' HA ' HD12 ' A' ' 797' ' ' LEU . 2.9 mp0 -53.53 -51.26 63.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.3 -175.8 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -35.89 81.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.111 -177.346 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 803' ' ' ALA . . . . . 0.764 ' HB3' ' HB3' ' A' ' 800' ' ' ASP . . . -74.05 -42.87 59.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.601 -179.526 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 804' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 797' ' ' LEU . 4.6 mm100 -64.7 -37.16 86.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.349 178.103 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 2.8 tp -66.65 -33.48 75.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.277 0.56 . . . . 0.0 110.223 176.695 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 1.9 t-160 -69.02 -36.82 78.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.753 175.819 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -78.36 -26.48 46.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.064 -176.386 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 808' ' ' SER . . . . . 0.454 ' HB2' ' HD2' ' A' ' 810' ' ' TYR . 1.4 p -81.49 -17.11 49.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.917 0.389 . . . . 0.0 111.021 -178.692 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 89.57 5.95 71.18 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.617 178.083 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 810' ' ' TYR . . . . . 0.454 ' HD2' ' HB2' ' A' ' 808' ' ' SER . 75.1 m-85 -91.02 2.54 56.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.985 0.422 . . . . 0.0 110.437 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.535 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.4 t80 -64.81 -39.46 93.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.653 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.62 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.901 0.382 . . . . 0.0 110.59 177.221 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 813' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 813' ' ' LEU . 0.0 OUTLIER -66.93 -38.68 86.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.214 175.571 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.539 ' CZ ' HG22 ' A' ' 886' ' ' VAL . 84.4 t80 -59.69 -35.41 74.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.816 178.662 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 815' ' ' VAL . . . . . 0.489 ' CG1' HD21 ' A' ' 890' ' ' LEU . 10.5 m -100.48 14.17 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 0.0 111.371 178.923 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -101.73 -64.79 1.03 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.384 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.51 -40.55 10.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.115 -174.159 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.689 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 58.5 t -55.9 -56.03 34.77 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -173.573 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.689 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 33.4 Cg_exo -59.7 -33.62 96.45 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.02 1.813 . . . . 0.0 112.085 -179.286 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.41 -42.43 65.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.452 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.56 -35.01 78.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.533 178.669 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.68 -43.99 99.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.017 0.436 . . . . 0.0 110.149 175.049 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -67.39 -34.03 76.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.148 0.499 . . . . 0.0 110.331 177.077 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.47 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.4 ttp180 -65.19 -41.6 94.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.004 175.545 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.515 ' HG ' ' HB ' ' A' ' 840' ' ' THR . 1.9 mt -55.12 -47.57 74.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.988 0.423 . . . . 0.0 110.109 174.611 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -54.77 -45.53 74.25 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.575 0.702 . . . . 0.0 110.459 175.404 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.0 m -64.17 -46.18 85.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.516 -177.198 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 7.8 mm-40 -74.15 -25.93 60.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.01 -177.472 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.49 84.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 0.0 109.897 174.007 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -69.44 -29.82 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.988 175.508 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 831' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 828' ' ' GLU . 0.3 OUTLIER -78.62 -13.48 59.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.051 176.11 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.59 21.06 12.56 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.721 -175.755 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -86.11 78.63 9.36 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.145 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.569 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 38.6 m-85 -61.91 -25.54 67.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.411 -179.113 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.7 85.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.16 0.505 . . . . 0.0 109.704 174.347 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -73.86 -36.09 64.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.09 177.385 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.4 OUTLIER -58.44 -44.72 89.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.404 174.223 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.1 85.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.222 176.475 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -61.87 -41.57 98.01 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.309 177.602 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 840' ' ' THR . . . . . 0.515 ' HB ' ' HG ' ' A' ' 825' ' ' LEU . 0.0 OUTLIER -71.05 -42.49 69.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.938 0.399 . . . . 0.0 110.426 179.346 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 841' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 845' ' ' LYS . . . -61.58 -34.15 75.12 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 175.691 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -61.16 -49.43 77.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.618 176.781 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -42.88 94.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.717 179.068 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 844' ' ' LEU . 6.0 mt -66.21 -46.42 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -177.504 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.444 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 0.0 OUTLIER -60.75 -37.3 81.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.09 178.527 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.45 -51.23 44.26 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.068 -0.586 . . . . 0.0 112.63 178.613 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.644 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 9.8 p -68.81 -36.2 73.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.938 0.369 . . . . 0.0 111.476 -177.842 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -66.67 -38.23 86.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.813 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 849' ' ' ALA . . . . . 0.62 ' HB2' ' HD2' ' A' ' 857' ' ' LYS . . . -64.6 -32.5 74.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.103 0.478 . . . . 0.0 110.283 175.03 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.22 -35.74 80.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.579 177.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.4 OUTLIER -86.93 -7.03 58.57 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.601 0.238 . . . . 0.0 110.406 175.525 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 71.84 19.57 4.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.089 177.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.49 81.93 2.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.568 177.844 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.497 ' HB ' ' CD ' ' A' ' 855' ' ' PRO . 3.4 t -52.36 -61.02 5.08 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.924 -174.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.497 ' CD ' ' HB ' ' A' ' 854' ' ' VAL . 8.1 Cg_endo -52.77 -43.72 53.69 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.413 2.075 . . . . 0.0 112.648 -178.793 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.98 -45.78 79.67 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.167 178.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 857' ' ' LYS . . . . . 0.62 ' HD2' ' HB2' ' A' ' 849' ' ' ALA . 23.4 tttt -62.6 -39.9 95.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.836 0.35 . . . . 0.0 110.107 178.361 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 858' ' ' GLN . . . . . 0.506 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 8.2 tp60 -66.53 -34.43 77.89 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.42 178.686 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -44.85 86.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 8.9 m -66.2 -35.57 80.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.076 177.171 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 861' ' ' GLU . . . . . 0.506 ' HG3' ' HA ' ' A' ' 858' ' ' GLN . 1.6 mt-10 -62.78 -48.31 79.7 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.064 0.459 . . . . 0.0 110.351 177.004 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.2 m -66.41 -33.26 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.574 178.211 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -46.33 89.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.214 174.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.18 -42.5 81.3 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.208 0.528 . . . . 0.0 110.183 176.084 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 865' ' ' HIS . . . . . 0.827 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 12.1 t60 -68.49 -29.55 68.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.26 179.199 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 866' ' ' LEU . . . . . 0.561 HD22 ' HA3' ' A' ' 874' ' ' GLY . 13.8 mt -75.46 -28.91 59.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.025 0.44 . . . . 0.0 110.258 176.476 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 834' ' ' PHE . 4.3 mt -72.2 -45.43 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.967 175.485 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.827 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -64.69 -36.26 83.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.736 178.793 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.563 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.3 OUTLIER -82.42 -12.13 58.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 178.742 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 870' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 870' ' ' LYS . 0.0 OUTLIER 57.92 64.76 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.324 -178.279 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -117.2 91.8 3.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.26 176.061 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.698 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 86.4 t -54.24 -54.95 42.13 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.046 -178.129 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.698 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 52.7 Cg_exo -56.17 -39.8 88.93 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.055 1.837 . . . . 0.0 112.159 178.756 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 874' ' ' GLY . . . . . 0.561 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -62.93 -49.84 68.84 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.854 177.294 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 879' ' ' ILE . 55.9 mt -57.1 -49.14 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.732 0.301 . . . . 0.0 110.221 177.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.57 -49.56 72.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.258 -179.802 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -36.19 82.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.376 -178.015 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -74.72 -32.2 62.08 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.031 -178.566 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 875' ' ' ILE . 89.4 mt -66.86 -41.44 87.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.057 175.321 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -33.22 71.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.955 0.407 . . . . 0.0 109.993 177.138 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -46.03 79.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.379 176.374 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 882' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 0.5 OUTLIER -64.69 -32.31 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 178.166 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 883' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 7.5 t70 -71.68 -44.1 64.85 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.068 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -38.6 83.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.772 -1.103 . . . . 0.0 109.77 173.861 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 885' ' ' TYR . . . . . 0.487 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 25.3 t80 -59.16 -57.49 12.81 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 122.528 1.156 . . . . 0.0 110.553 178.569 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.539 HG22 ' CZ ' ' A' ' 814' ' ' PHE . 1.5 t -62.41 -34.2 63.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 113.292 -1.776 . . . . 0.0 110.28 -178.378 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 887' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 0.1 OUTLIER -66.62 -33.58 75.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.704 178.3 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.99 -29.85 39.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 110.498 178.226 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -21.36 60.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.042 0.448 . . . . 0.0 110.619 177.328 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.489 HD21 ' CG1' ' A' ' 815' ' ' VAL . 14.4 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.459 -0.782 . . . . 0.0 110.627 176.368 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 775' ' ' MET . . . . . 0.546 ' HG3' HG22 ' A' ' 779' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.261 0.553 . . . . 0.0 110.752 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.23 90.53 3.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.565 -179.907 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.41 -48.28 0.65 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.761 0.824 . . . . 0.0 111.018 -178.037 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -83.93 67.06 9.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.494 178.753 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 779' ' ' VAL . . . . . 0.546 HG22 ' HG3' ' A' ' 775' ' ' MET . 4.3 t -74.93 -67.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.695 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.57 158.41 31.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.011 173.863 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -104.6 -96.37 0.33 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.219 0.533 . . . . 0.0 109.826 177.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.691 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 0.8 OUTLIER -141.81 -49.16 0.38 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.776 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 783' ' ' ILE . . . . . 0.691 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 1.3 tp -152.37 -131.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 172.57 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.504 ' N ' HG23 ' A' ' 783' ' ' ILE . 2.4 mt-10 -119.44 -61.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 119.257 0.935 . . . . 0.0 110.276 178.356 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.587 ' HB ' ' HB3' ' A' ' 788' ' ' ALA . 0.4 OUTLIER -134.52 87.68 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.111 179.572 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -82.09 -44.73 16.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.207 0.527 . . . . 0.0 109.922 -178.619 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 5.7 mt -104.06 43.08 1.12 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.186 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 788' ' ' ALA . . . . . 0.587 ' HB3' ' HB ' ' A' ' 785' ' ' VAL . . . -152.58 -176.44 5.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.935 -179.272 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.68 47.94 14.89 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.742 0.651 . . . . 0.0 110.809 -177.41 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.49 124.03 19.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.694 175.74 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -173.89 64.22 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.82 -174.603 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 18.8 m -82.3 150.65 4.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.422 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.13 -63.47 0.85 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -175.922 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.21 165.73 0.26 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.669 0.605 . . . . 0.0 110.136 -172.227 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.8 98.42 5.28 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-O 120.81 0.338 . . . . 0.0 111.087 -177.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -71.26 146.96 52.35 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.195 1.93 . . . . 0.0 111.321 174.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 6.1 mt -69.85 -69.09 0.37 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.289 178.792 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 130.33 -100.87 0.49 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.091 176.678 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -162.16 24.7 0.22 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.451 -0.88 . . . . 0.0 113.112 -177.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 800' ' ' ASP . . . . . 0.41 ' HB3' ' HB3' ' A' ' 803' ' ' ALA . 0.3 OUTLIER -111.14 90.51 3.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.28 0.562 . . . . 0.0 109.499 177.5 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.71 -32.06 72.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.31 -172.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -64.64 -40.46 95.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.012 0.434 . . . . 0.0 110.33 176.579 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 803' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' A' ' 800' ' ' ASP . . . -66.07 -42.42 89.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.463 178.912 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -40.94 99.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.835 178.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -29.92 67.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 -179.175 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 10.5 t-160 -76.15 -37.81 57.52 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.315 174.621 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.24 -37.06 85.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.338 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -33.04 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.037 177.138 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 103.01 8.62 41.52 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.668 177.101 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -96.57 13.01 29.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.342 0.592 . . . . 0.0 111.077 -177.613 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 811' ' ' TYR . . . . . 0.633 ' OH ' ' HA ' ' A' ' 890' ' ' LEU . 4.8 t80 -60.74 -30.71 70.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.685 174.144 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.66 -48.43 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.388 179.074 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.16 -32.64 73.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.121 0.486 . . . . 0.0 110.194 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 814' ' ' PHE . . . . . 0.471 ' HE1' ' HE1' ' A' ' 848' ' ' PHE . 18.3 t80 -61.2 -41.6 97.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.079 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.7 m -93.41 -0.83 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.823 0.344 . . . . 0.0 111.607 -178.294 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -94.82 -66.37 0.92 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.795 -175.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.6 t -102.82 -18.47 15.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -171.175 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 818' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 822' ' ' VAL . 94.5 t -65.73 -56.52 17.72 Favored Pre-proline 0 CA--C 1.536 0.427 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.789 -175.082 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 819' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 822' ' ' VAL . 21.8 Cg_endo -62.03 -26.05 78.1 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.847 1.698 . . . . 0.0 112.188 178.755 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -33.34 70.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.073 0.464 . . . . 0.0 109.823 177.13 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.98 -34.42 61.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.64 179.424 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 822' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 819' ' ' PRO . 1.1 m -65.89 -37.4 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.626 -0.43 . . . . 0.0 109.845 174.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 823' ' ' LYS . . . . . 0.604 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.2 OUTLIER -68.42 -38.72 81.48 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 174.792 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.671 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -59.66 -45.75 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.639 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 1.5 mt -53.26 -47.3 69.2 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.315 0.385 . . . . 0.0 110.515 176.421 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 826' ' ' TYR . . . . . 0.604 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 21.0 m-85 -53.7 -45.86 70.54 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.43 175.167 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.8 m -64.07 -46.53 83.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.903 -177.016 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 828' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 14.6 mm-40 -72.56 -30.83 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.623 -177.903 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.78 94.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.638 178.587 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.69 78.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.332 179.185 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.76 8.95 32.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.472 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.4 35.5 20.62 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.691 0.796 . . . . 0.0 111.005 179.376 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -88.69 71.77 8.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.403 178.084 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 834' ' ' PHE . . . . . 0.632 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 97.3 m-85 -61.1 -28.07 68.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.571 -179.335 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.02 97.33 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.194 0.521 . . . . 0.0 109.93 174.401 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.79 60.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.687 178.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 837' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.8 OUTLIER -57.14 -46.97 82.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.113 174.44 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.79 98.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.031 177.599 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -61.85 -47.41 85.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.633 0.254 . . . . 0.0 111.369 177.643 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 5.2 m -63.82 -40.06 95.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.781 179.654 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.5 87.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.911 0.386 . . . . 0.0 110.23 176.024 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -65.56 -41.9 92.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.189 176.752 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -43.85 92.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.221 177.595 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 844' ' ' LEU . . . . . 0.556 ' HA ' HG22 ' A' ' 847' ' ' VAL . 6.4 mt -66.29 -39.18 89.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.635 179.589 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 845' ' ' LYS . . . . . 0.732 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 23.3 ttmt -58.65 -44.24 90.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.821 175.223 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.26 71.35 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.009 -179.175 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.584 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 29.9 m -67.5 -39.15 81.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 117.223 0.511 . . . . 0.0 111.512 -176.914 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.471 ' HE1' ' HE1' ' A' ' 814' ' ' PHE . 3.4 m-85 -69.4 -40.89 77.08 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.53 88.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.941 0.4 . . . . 0.0 110.331 175.33 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 32.8 tpp -63.76 -43.74 95.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.692 176.578 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 60.7 mt -74.64 -10.78 59.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.214 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 0.8 OUTLIER 80.64 18.3 0.56 Allowed 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.655 0.74 . . . . 0.0 109.777 178.167 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 18.0 mt -87.87 80.6 7.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.898 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 854' ' ' VAL . . . . . 0.599 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 4.4 t -56.8 -52.64 72.24 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.414 -177.542 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 855' ' ' PRO . . . . . 0.599 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 65.0 Cg_exo -53.2 -47.59 26.67 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.36 2.04 . . . . 0.0 112.632 178.804 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -61.88 -45.86 95.31 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.992 178.02 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.13 -38.55 91.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.622 0.249 . . . . 0.0 110.46 179.539 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -35.49 79.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.114 178.156 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.55 -45.18 94.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.819 175.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 860' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 15.7 m -64.23 -37.32 87.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.32 177.483 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 861' ' ' GLU . . . . . 0.732 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 15.5 mt-10 -63.15 -45.96 89.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.148 177.747 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 4.9 m -66.83 -34.62 78.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.585 177.147 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.2 OUTLIER -60.52 -47.29 86.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.118 175.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.48 -45.0 73.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.255 0.55 . . . . 0.0 110.288 176.102 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -62.04 -44.27 97.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.879 177.799 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.35 -36.99 84.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.873 0.368 . . . . 0.0 110.71 179.486 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.525 ' HA ' HD11 ' A' ' 875' ' ' ILE . 43.5 mt -70.19 -39.84 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.975 178.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 868' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.28 -33.86 76.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.761 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 869' ' ' GLU . . . . . 0.479 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 10.9 pt-20 -96.52 1.37 51.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.093 0.473 . . . . 0.0 110.682 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 61.18 36.03 18.21 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.479 173.329 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -80.55 79.89 7.09 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.007 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 872' ' ' VAL . . . . . 0.67 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 6.6 t -49.04 -54.04 32.41 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.595 -175.534 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 873' ' ' PRO . . . . . 0.67 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 52.0 Cg_exo -55.87 -39.97 87.93 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.044 1.829 . . . . 0.0 112.336 178.155 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -68.61 -37.99 85.61 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.871 178.652 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.525 HD11 ' HA ' ' A' ' 867' ' ' ILE . 47.8 mt -61.84 -55.47 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.416 0.15 . . . . 0.0 111.02 179.322 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 876' ' ' GLU . . . . . 0.493 ' HA ' HD12 ' A' ' 879' ' ' ILE . 4.3 pt-20 -61.71 -40.04 93.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.689 -177.75 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -42.67 94.98 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.34 177.698 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 878' ' ' TYR . . . . . 0.449 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 2.4 m-85 -69.75 -32.03 70.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 -179.126 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 879' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 875' ' ' ILE . 78.7 mt -60.55 -45.34 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.561 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -29.06 67.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.981 176.517 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.23 -39.35 75.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.087 0.47 . . . . 0.0 110.24 178.222 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 5.5 mt -67.64 -33.18 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.659 173.541 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 883' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 14.0 t0 -69.56 -48.59 59.81 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.422 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.4 p -63.72 -40.41 96.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.574 178.827 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -48.71 -56.68 7.86 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 122.16 0.981 . . . . 0.0 109.858 172.428 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 886' ' ' VAL . . . . . 0.672 HG13 HD21 ' A' ' 890' ' ' LEU . 1.2 t -67.3 -37.16 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.142 0 CA-C-N 113.535 -1.666 . . . . 0.0 110.758 -176.882 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 887' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 14.1 mmtm -55.61 -40.97 72.81 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 177.605 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.2 p -90.92 -23.39 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.478 -176.728 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 889' ' ' LEU . . . . . 0.405 ' HB3' ' CE2' ' A' ' 814' ' ' PHE . 0.1 OUTLIER -81.6 -25.83 35.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -177.469 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.672 HD21 HG13 ' A' ' 886' ' ' VAL . 1.6 pp . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.317 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.951 0.405 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -69.4 -36.9 77.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.032 0.444 . . . . 0.0 110.045 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -60.52 -48.47 81.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.602 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -31.33 72.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.69 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -68.21 -40.13 82.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.741 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.08 70.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.832 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -31.18 70.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.966 0.412 . . . . 0.0 110.389 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 107.74 -0.98 34.1 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.833 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.418 ' HD2' HD23 ' A' ' 851' ' ' LEU . 1.4 m-30 -76.8 -0.62 24.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.195 0.522 . . . . 0.0 110.689 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.444 ' O ' HG22 ' A' ' 815' ' ' VAL . 0.9 OUTLIER -61.06 -29.45 69.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.07 174.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.49 -40.54 91.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.488 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.2 mt -71.93 -36.6 69.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.011 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 889' ' ' LEU . 0.4 OUTLIER -59.18 -31.88 69.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.535 -178.447 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 811' ' ' TYR . 11.9 m -106.39 6.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.691 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -97.43 -81.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.718 0.294 . . . . 0.0 110.714 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.0 -21.93 23.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.776 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 92.9 t -64.5 -57.68 16.28 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -173.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.776 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 39.4 Cg_exo -62.5 -28.68 77.88 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 121.923 1.749 . . . . 0.0 111.786 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.5 ' O ' ' HG3' ' A' ' 823' ' ' LYS . 15.5 t70 -66.59 -41.9 87.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.462 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.72 -34.04 71.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.165 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 825' ' ' LEU . 53.7 t -65.74 -49.34 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -67.26 -29.11 68.64 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.45 178.492 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.729 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 6.5 ttm105 -68.13 -44.29 76.43 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.679 ' HG ' HG21 ' A' ' 840' ' ' THR . 9.8 mt -48.05 -49.87 29.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.979 0.419 . . . . 0.0 110.414 174.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.42 -45.02 92.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.016 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 36.1 m -66.73 -45.47 78.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.387 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.729 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 4.0 mm-40 -71.66 -30.19 65.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.778 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . 0.452 ' HB2' HD21 ' A' ' 837' ' ' LEU . . . -64.68 -39.32 93.47 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.867 0.365 . . . . 0.0 110.174 175.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.56 85.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.999 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -10.29 59.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.408 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 6.7 m 66.51 33.77 6.5 Favored 'General case' 0 N--CA 1.46 0.057 0 CA-C-O 121.456 0.646 . . . . 0.0 110.47 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -82.78 76.48 9.62 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.469 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.62 ' HA ' HD12 ' A' ' 837' ' ' LEU . 58.1 m-85 -55.15 -27.71 47.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.014 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.97 91.42 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.113 0.482 . . . . 0.0 110.729 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 839' ' ' GLN . . . -82.2 -33.94 29.18 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.365 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 834' ' ' PHE . 44.4 mt -60.16 -43.0 96.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.77 -1.104 . . . . 0.0 109.938 174.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -67.62 -49.29 63.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.969 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 836' ' ' ALA . 0.1 OUTLIER -60.99 -39.59 90.23 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.29 -178.285 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . 0.679 HG21 ' HG ' ' A' ' 825' ' ' LEU . 4.5 m -73.29 -37.26 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.87 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.33 93.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 110.114 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -38.12 77.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.597 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -47.92 82.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.482 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.586 ' HA ' HG22 ' A' ' 847' ' ' VAL . 11.9 mt -64.96 -41.0 95.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.533 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.695 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 11.1 ttmt -56.28 -44.05 79.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.087 175.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.57 -44.78 70.3 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.762 -0.653 . . . . 0.0 113.083 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.586 HG22 ' HA ' ' A' ' 844' ' ' LEU . 31.4 m -71.91 -32.37 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 117.115 0.458 . . . . 0.0 111.204 -177.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.69 -38.15 73.67 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.6 78.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.081 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 2.6 tpp -66.55 -41.77 88.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.473 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.418 HD23 ' HD2' ' A' ' 810' ' ' TYR . 60.4 mt -74.52 -11.48 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.485 176.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 74.5 25.05 1.67 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.386 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.96 92.95 8.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.868 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.462 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 2.6 t -61.9 -55.94 36.76 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.965 -175.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 10.0 Cg_endo -54.52 -36.74 89.43 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.412 2.075 . . . . 0.0 112.782 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.41 -47.82 67.83 Favored Glycine 0 C--O 1.239 0.436 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.723 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -35.71 80.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -44.74 90.79 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.9 mt -58.88 -44.08 91.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.978 0.418 . . . . 0.0 110.301 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 12.2 m -66.66 -32.38 73.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.075 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . 0.695 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 1.4 mm-40 -65.04 -47.98 75.46 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -34.6 78.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.409 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.6 OUTLIER -57.42 -51.08 70.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 177.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 867' ' ' ILE . 2.5 pt-20 -62.95 -36.37 83.22 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 110.426 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -67.35 -38.78 85.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.591 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . 0.504 HD22 ' HA3' ' A' ' 874' ' ' GLY . 14.6 mt -67.29 -29.79 69.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.788 0.327 . . . . 0.0 110.383 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 864' ' ' GLU . 23.5 mt -72.37 -38.78 61.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.605 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.38 -35.74 81.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.9 177.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.605 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 20.1 mm-40 -85.4 -7.4 58.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 870' ' ' LYS . 14.6 mmtp 62.07 36.72 15.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.079 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -89.98 82.0 6.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.485 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.9 t -52.03 -53.24 54.0 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.411 -176.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 13.3 Cg_endo -57.53 -35.03 98.91 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.327 2.018 . . . . 0.0 112.424 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . 0.504 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -70.36 -42.08 66.1 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.029 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 872' ' ' VAL . 56.2 mt -57.25 -53.39 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.626 0.25 . . . . 0.0 110.46 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 0.2 OUTLIER -65.59 -33.89 76.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.002 -178.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -59.1 -49.52 77.57 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.166 176.745 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.501 ' HA ' ' HB2' ' A' ' 881' ' ' ASP . 4.8 m-85 -72.45 -31.88 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 -177.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.21 -43.12 88.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.3 m -67.43 -37.01 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.468 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . 0.501 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -65.69 -35.09 79.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.185 0.517 . . . . 0.0 110.597 178.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 68.3 mt -73.69 -33.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.155 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -69.29 -46.85 66.2 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.0 p -62.9 -38.49 91.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.067 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . 0.5 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 5.7 t80 -60.5 -57.87 10.88 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.995 0.903 . . . . 0.0 110.312 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.474 HG22 ' HE1' ' A' ' 814' ' ' PHE . 0.9 OUTLIER -59.61 -36.56 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 CA-C-N 113.751 -1.568 . . . . 0.0 110.358 -178.154 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 178.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -27.6 61.7 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.572 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . 0.481 ' HB3' ' CE2' ' A' ' 814' ' ' PHE . 0.2 OUTLIER -88.14 -13.02 42.34 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.094 -0.243 . . . . 0.0 111.459 -178.528 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.458 176.631 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--O 1.228 -0.053 0 CA-C-O 120.672 0.272 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -71.1 -39.41 72.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.753 0.311 . . . . 0.0 110.416 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -61.63 -47.17 86.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.022 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.561 ' HA ' ' CE1' ' A' ' 810' ' ' TYR . 0.1 OUTLIER -67.93 -32.71 73.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.573 -178.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.539 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 18.8 t-80 -70.72 -51.3 28.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.069 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -68.95 -27.63 65.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.977 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 72.4 m -78.92 -1.14 33.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.24 -31.33 4.47 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.535 -0.84 . . . . 0.0 114.02 172.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 805' ' ' LEU . 1.7 p90 -73.38 8.6 1.67 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.655 0.727 . . . . 0.0 111.932 -176.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.539 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 15.6 t80 -61.74 -32.11 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 170.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -61.22 -42.53 98.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.598 177.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -31.13 63.68 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 109.773 177.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.447 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 51.1 t80 -61.03 -40.08 92.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.608 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . 0.435 HG12 HD21 ' A' ' 890' ' ' LEU . 32.1 m -93.42 2.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 0.0 111.212 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 5.4 t0 -92.24 -61.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.775 -178.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.9 t -104.79 -34.04 8.22 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' A' ' 814' ' ' PHE . 46.2 t -57.36 -55.23 46.55 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -170.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 818' ' ' VAL . 17.9 Cg_endo -60.97 -39.65 59.03 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 121.597 1.531 . . . . 0.0 111.921 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 824' ' ' ARG . 16.3 t70 -65.79 -40.12 91.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.216 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . 0.706 ' HB3' HD21 ' A' ' 844' ' ' LEU . 0.4 OUTLIER -60.08 -40.28 89.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.299 177.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.5 -42.31 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.448 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 826' ' ' TYR . 0.1 OUTLIER -62.27 -39.91 94.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.565 177.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.529 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 60.4 mtm-85 -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.21 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.73 -42.0 87.71 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 823' ' ' LYS . 10.9 m-85 -57.37 -43.04 83.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.121 173.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.8 m -65.57 -45.54 82.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.631 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.9 mm-40 -70.94 -28.05 64.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.052 0.453 . . . . 0.0 110.675 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . 0.777 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -70.3 -33.93 72.13 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.685 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.12 -30.81 71.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.147 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -7.8 52.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.77 0.319 . . . . 0.0 111.032 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.69 33.07 22.81 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 110.275 -177.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -84.83 76.68 10.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.942 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.616 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 96.9 m-85 -52.74 -30.51 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.705 -178.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.558 0.695 . . . . 0.0 110.182 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -80.78 -34.01 34.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.498 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.777 HD11 ' HA ' ' A' ' 829' ' ' ALA . 0.4 OUTLIER -58.18 -45.97 86.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.929 174.729 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.51 91.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.259 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -64.68 -39.33 93.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.605 0.241 . . . . 0.0 111.202 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 4.9 m -74.05 -38.03 64.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.67 0.271 . . . . 0.0 110.754 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.56 78.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.016 0.436 . . . . 0.0 109.88 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -44.25 94.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.04 173.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 2.8 mtm-85 -64.26 -44.86 90.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.888 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.706 HD21 ' HB3' ' A' ' 821' ' ' ASP . 0.9 OUTLIER -66.59 -40.2 88.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.171 0.51 . . . . 0.0 110.413 -178.321 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -63.14 -40.01 96.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.786 175.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.13 -45.45 71.51 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.955 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 844' ' ' LEU . 16.2 m -65.78 -41.69 90.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 117.091 0.446 . . . . 0.0 111.227 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -67.65 -40.38 84.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.42 -34.74 78.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -60.63 -47.13 87.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.776 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.18 -5.67 59.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.854 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.9 34.67 1.88 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.076 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 853' ' ' LEU . 9.6 mt -85.51 82.71 8.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.158 174.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.521 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 14.3 t -49.31 -54.01 34.01 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.753 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.521 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 49.6 Cg_exo -55.28 -43.71 56.07 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.92 1.747 . . . . 0.0 112.247 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.35 -48.31 70.55 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.375 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -36.13 83.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.569 0.223 . . . . 0.0 110.6 -179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -36.37 83.36 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.116 0.484 . . . . 0.0 110.109 177.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -44.99 90.77 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.878 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 56.5 m -63.8 -42.06 97.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.419 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -58.08 -48.11 81.15 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.094 0.473 . . . . 0.0 110.65 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 7.3 m -66.49 -36.19 82.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.835 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.577 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.6 OUTLIER -63.46 -44.35 94.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.479 176.44 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -36.54 77.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.939 0.399 . . . . 0.0 110.458 177.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -59.99 -47.06 87.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.027 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . 0.577 HD22 ' HA3' ' A' ' 874' ' ' GLY . 7.9 mt -64.12 -33.97 76.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.776 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.647 ' HA ' HD11 ' A' ' 875' ' ' ILE . 56.6 mt -74.41 -37.31 44.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.422 0.63 . . . . 0.0 109.558 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -63.13 -36.27 83.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.8 179.295 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.527 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 18.6 pt-20 -92.1 -0.63 57.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.867 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 66.0 mttt 60.36 37.63 20.02 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.763 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -87.45 84.27 7.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.951 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -51.58 68.51 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -176.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.417 ' O ' ' HG3' ' A' ' 876' ' ' GLU . 51.4 Cg_exo -55.44 -42.13 71.21 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.243 1.962 . . . . 0.0 112.554 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . 0.577 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -68.09 -38.9 88.76 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.919 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.647 HD11 ' HA ' ' A' ' 867' ' ' ILE . 37.5 mt -61.39 -54.43 35.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.397 0.141 . . . . 0.0 110.737 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 0.7 OUTLIER -62.33 -36.11 81.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.613 -178.28 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -49.42 76.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.946 0.403 . . . . 0.0 110.642 177.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.577 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 1.6 m-85 -72.21 -32.11 66.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.498 -177.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.472 ' O ' HG22 ' A' ' 882' ' ' ILE . 20.8 mt -62.76 -44.66 99.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.177 174.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 6.0 m -64.17 -32.92 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.053 0.454 . . . . 0.0 110.204 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.62 -33.95 67.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.078 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . 0.478 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 1.3 tt -70.84 -31.33 45.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.239 0.542 . . . . 0.0 110.057 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.17 -42.44 62.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.329 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 6.2 p -68.15 -32.14 72.2 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.823 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . 0.478 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 74.6 t80 -56.2 -57.68 11.18 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.565 1.174 . . . . 0.0 109.89 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -30.56 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 CA-C-N 113.049 -1.887 . . . . 0.0 110.724 -176.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -70.67 -35.94 73.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.369 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.88 -25.97 61.27 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.245 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 1.7 mp -81.42 -19.07 43.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.612 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.435 HD21 HG12 ' A' ' 815' ' ' VAL . 3.7 mt . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.145 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.37 0 CA-C-O 120.764 0.316 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.27 97.33 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.457 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -56.81 -54.93 40.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.356 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.801 ' HB3' ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -52.86 -48.48 67.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.362 178.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -65.16 -57.71 7.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.543 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -66.01 -33.97 77.02 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -170.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 54.2 p -77.39 -15.61 59.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.061 0.458 . . . . 0.0 111.167 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 81.79 5.3 89.93 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.694 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -80.58 -6.54 58.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.598 -0.301 . . . . 0.0 110.578 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.801 ' HD1' ' HB3' ' A' ' 805' ' ' LEU . 8.6 t80 -56.92 -34.95 68.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.195 176.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.37 -46.03 89.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.625 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -39.24 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.352 0.596 . . . . 0.0 109.823 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.482 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 82.8 t80 -59.31 -41.93 90.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.61 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 811' ' ' TYR . 29.6 m -96.07 7.3 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.699 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.13 -70.48 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.971 0.415 . . . . 0.0 111.044 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . 0.422 HG21 HG11 ' A' ' 847' ' ' VAL . 4.1 t -91.24 -33.67 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.902 -173.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.482 ' HB ' ' O ' ' A' ' 814' ' ' PHE . 86.0 t -59.19 -56.17 38.79 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -171.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 818' ' ' VAL . 13.9 Cg_endo -57.83 -38.41 92.79 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 121.873 1.715 . . . . 0.0 112.532 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.43 -32.96 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.809 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.39 -37.33 82.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.989 0.423 . . . . 0.0 110.014 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.92 -44.62 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.853 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.28 -39.78 76.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.069 174.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.683 ' HB3' HG21 ' A' ' 840' ' ' THR . 0.0 OUTLIER -66.01 -48.43 71.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.304 178.249 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 825' ' ' LEU . 7.1 mt -49.66 -46.8 50.13 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.108 0.48 . . . . 0.0 110.233 175.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -60.76 -43.72 97.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.965 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 63.7 m -67.98 -45.64 73.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.512 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.662 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 28.5 mm-40 -69.21 -28.1 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.974 0.416 . . . . 0.0 110.501 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . 0.809 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -69.07 -37.58 78.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.694 176.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.85 72.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.254 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -9.11 44.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.434 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.82 34.4 17.16 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.412 -175.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -87.34 73.8 9.56 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.738 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 88.9 m-85 -60.4 -21.34 62.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.724 -175.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.71 82.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.312 0.577 . . . . 0.0 109.793 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -79.12 -31.83 44.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.394 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.809 HD11 ' HA ' ' A' ' 829' ' ' ALA . 0.2 OUTLIER -59.31 -45.72 90.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.187 173.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.58 94.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.521 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -57.12 -47.26 81.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.126 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . 0.683 HG21 ' HB3' ' A' ' 824' ' ' ARG . 0.3 OUTLIER -72.88 -41.86 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.718 -178.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . 0.684 ' O ' ' HG3' ' A' ' 845' ' ' LYS . . . -58.62 -47.02 85.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.477 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . 0.667 ' HA ' ' HD3' ' A' ' 845' ' ' LYS . 3.0 t60 -58.29 -44.0 88.3 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.469 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.485 ' HD3' ' HA ' ' A' ' 843' ' ' ARG . 0.0 OUTLIER -61.95 -40.55 95.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.749 179.315 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.41 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -64.29 -41.54 96.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.437 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' A' ' 841' ' ' ALA . 29.2 mtpt -55.57 -48.86 74.12 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -62.13 -45.41 96.11 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.626 -0.715 . . . . 0.0 113.415 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.569 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 17.7 m -73.84 -37.34 48.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 117.321 0.561 . . . . 0.0 111.307 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.478 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 0.9 OUTLIER -68.3 -42.15 79.87 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 177.377 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.27 -26.89 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.998 0.428 . . . . 0.0 110.486 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . 0.534 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 0.1 OUTLIER -62.87 -45.04 94.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.264 177.114 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -85.77 -7.66 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.556 176.222 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.91 39.16 0.67 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.92 0.867 . . . . 0.0 110.461 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.43 75.03 10.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.418 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.757 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 21.2 t -50.35 -58.59 9.31 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -173.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.757 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 51.8 Cg_exo -56.25 -43.13 59.01 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.205 1.937 . . . . 0.0 112.674 -177.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.02 -45.91 78.18 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.812 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 861' ' ' GLU . 0.0 OUTLIER -63.2 -41.23 99.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.497 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -58.12 -40.71 81.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.617 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.43 -42.56 92.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.012 176.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 22.6 m -66.75 -35.09 79.29 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.736 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . 0.635 ' HG2' ' HE3' ' A' ' 845' ' ' LYS . 8.1 mt-10 -66.21 -48.92 69.04 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.39 0.614 . . . . 0.0 110.168 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . 0.583 ' HB ' ' HE2' ' A' ' 878' ' ' TYR . 1.9 m -63.68 -31.85 73.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.298 176.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -42.19 99.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.337 175.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -57.84 -44.62 86.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.971 0.415 . . . . 0.0 110.013 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.44 -46.98 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.006 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.71 -31.97 72.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.598 0.237 . . . . 0.0 111.084 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 22.1 mt -72.98 -41.74 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.43 -30.89 71.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.362 177.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 4.3 tt0 -84.05 -20.06 33.33 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.913 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.29 40.58 6.51 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.764 -174.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -83.35 77.78 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.452 -0.794 . . . . 0.0 108.928 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.646 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 2.6 t -49.2 -55.37 21.7 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.818 -173.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.646 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.2 Cg_exo -54.52 -43.63 57.07 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.2 1.933 . . . . 0.0 112.263 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -66.71 -39.16 93.6 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.087 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.512 ' O ' HG13 ' A' ' 879' ' ' ILE . 71.0 mt -57.66 -58.5 5.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.469 0.176 . . . . 0.0 110.895 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 6.8 pt-20 -65.04 -36.97 86.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.991 -176.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -38.21 90.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.886 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.583 ' HE2' ' HB ' ' A' ' 862' ' ' THR . 2.5 m-85 -69.99 -40.71 75.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.663 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 875' ' ' ILE . 20.8 mt -64.6 -30.81 51.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.952 0.406 . . . . 0.0 110.062 175.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 28.1 m -67.65 -37.58 82.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.189 175.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.75 -32.46 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.57 -34.01 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.466 0.651 . . . . 0.0 109.865 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.45 -38.27 71.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.308 -177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . 0.466 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 3.0 p -73.7 -29.99 62.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.396 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -61.45 -57.39 12.4 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.157 0.979 . . . . 0.0 109.297 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.565 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.9 OUTLIER -58.65 -36.47 60.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 114.062 -1.426 . . . . 0.0 109.734 178.173 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 0.0 OUTLIER -57.85 -43.85 86.16 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.526 177.595 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.19 -18.65 41.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.191 -176.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 85.9 mt -86.81 -15.2 39.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.109 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 33.6 mt . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.502 174.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 806' ' ' HIS . 15.0 p-10 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.734 0.302 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -73.05 -37.87 66.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.915 0.388 . . . . 0.0 110.245 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -47.05 82.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.556 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -67.09 -31.55 72.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.418 178.679 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 802' ' ' ASN . 3.5 t-160 -67.43 -40.42 85.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.655 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -74.17 -40.19 62.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.53 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 11.7 m -76.17 3.62 10.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 75.49 20.18 78.77 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.94 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.597 ' HB3' HD22 ' A' ' 851' ' ' LEU . 12.4 m-85 -85.0 -12.58 52.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.81 0.338 . . . . 0.0 110.799 -178.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.417 ' O ' HG22 ' A' ' 815' ' ' VAL . 0.3 OUTLIER -60.95 -30.04 70.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.914 -178.432 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . 0.599 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -61.33 -36.0 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.063 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 2.4 mp -85.3 -35.07 21.72 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.363 0.601 . . . . 0.0 110.234 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -56.03 -58.99 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.021 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 811' ' ' TYR . 27.5 m -82.86 3.01 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.937 0.399 . . . . 0.0 111.348 -176.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . 0.599 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 3.2 t70 -96.05 -57.23 2.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.682 -175.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.3 t -106.54 -30.72 8.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.437 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 94.4 t -58.89 -59.18 14.62 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -171.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.685 ' HA ' HG22 ' A' ' 822' ' ' VAL . 30.4 Cg_endo -64.53 -29.84 61.51 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.743 1.629 . . . . 0.0 112.821 -178.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.12 -40.95 67.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.116 0.484 . . . . 0.0 109.939 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.56 -43.13 77.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.828 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.685 HG22 ' HA ' ' A' ' 819' ' ' PRO . 34.7 m -67.75 -31.6 53.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.695 0.283 . . . . 0.0 111.157 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -65.45 -45.96 81.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 11.3 mtp180 -64.47 -37.25 86.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.356 176.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 822' ' ' VAL . 0.8 OUTLIER -54.61 -45.74 73.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.156 175.035 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -37.53 87.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.425 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.1 m -65.32 -46.64 79.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.7 mm-40 -71.14 -25.66 62.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.946 0.403 . . . . 0.0 110.471 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.36 84.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.361 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.26 -24.66 65.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.282 0.563 . . . . 0.0 110.511 175.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 18.9 m -81.15 -11.53 59.43 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.004 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.49 29.02 17.04 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.355 0.662 . . . . 0.0 110.476 -179.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -86.87 78.88 8.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.604 0.716 . . . . 0.0 109.755 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.604 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 61.1 m-85 -60.37 -23.84 64.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.187 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.89 85.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.208 0.528 . . . . 0.0 110.1 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.73 58.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.716 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.604 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.1 OUTLIER -57.09 -51.14 70.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.031 175.244 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.0 91.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.165 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -47.61 85.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.659 0.266 . . . . 0.0 111.655 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 843' ' ' ARG . 1.6 m -72.68 -24.96 61.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.741 0.305 . . . . 0.0 111.119 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.25 86.51 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -61.71 -44.34 97.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.46 ' O ' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -55.23 -51.44 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.668 177.456 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.414 ' HA ' HG22 ' A' ' 847' ' ' VAL . 1.1 mm? -67.38 -39.63 85.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.977 -176.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -61.54 -45.01 95.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.124 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.86 -47.17 68.14 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.852 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.703 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 16.9 m -66.17 -40.72 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 117.225 0.512 . . . . 0.0 111.526 -177.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -65.75 -45.8 81.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.01 70.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.235 0.541 . . . . 0.0 110.338 176.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -43.33 76.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.615 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 8.9 mt -77.88 -6.03 52.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.565 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.599 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 2.0 m-80 85.75 9.48 0.3 Allowed 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.1 0.875 . . . . 0.0 110.402 175.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 853' ' ' LEU . 15.5 mt -78.23 81.21 4.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.622 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.466 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 9.6 t -56.67 -56.33 33.69 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.233 -178.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.518 ' HG2' ' OH ' ' A' ' 885' ' ' TYR . 10.5 Cg_endo -56.33 -37.72 96.42 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.323 2.015 . . . . 0.0 113.02 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.48 -50.58 54.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.575 -0.822 . . . . 0.0 111.416 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -38.85 77.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . 0.464 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 1.2 tt0 -55.66 -41.8 74.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.837 176.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.2 -44.86 94.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.998 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 3.6 m -62.43 -36.76 83.4 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.951 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . 0.464 ' HG3' ' HA ' ' A' ' 858' ' ' GLN . 2.0 mt-10 -62.97 -51.54 66.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.09 0.471 . . . . 0.0 110.553 178.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . 0.517 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -62.22 -33.29 74.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.77 177.757 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.462 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -61.97 -42.67 99.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.214 175.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 867' ' ' ILE . 46.3 mt-10 -59.46 -42.09 91.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.15 -33.6 76.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.483 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 30.7 mt -72.01 -34.14 68.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.727 0.299 . . . . 0.0 110.519 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 864' ' ' GLU . 11.7 mt -67.3 -45.18 86.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.992 175.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.617 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -60.15 -37.94 81.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.377 177.569 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.617 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.2 OUTLIER -82.27 -13.2 57.4 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.992 -176.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp 65.01 44.66 3.35 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.279 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . 0.577 ' O ' HG12 ' A' ' 875' ' ' ILE . 6.0 t70 -100.5 93.09 5.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.394 177.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.663 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 4.1 t -54.11 -52.85 64.9 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.898 -178.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.663 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.4 Cg_exo -54.53 -39.41 88.34 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.234 1.956 . . . . 0.0 112.467 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -62.46 -40.35 98.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.993 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 871' ' ' ASP . 43.9 mm -58.4 -53.15 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.443 0.163 . . . . 0.0 110.82 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -39.5 87.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.599 0.238 . . . . 0.0 110.878 -178.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -66.22 -44.05 84.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.179 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.517 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 2.4 m-85 -75.44 -32.39 60.66 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.303 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 70.8 mt -67.41 -39.11 82.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.255 175.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.2 p -70.12 -30.8 68.09 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.273 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -36.19 72.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.116 0.484 . . . . 0.0 110.351 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -32.53 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.831 173.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 1.1 t70 -73.29 -45.98 52.39 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.574 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 9.9 p -64.16 -30.4 71.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.11 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . 0.518 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 26.2 t80 -60.37 -58.19 9.55 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 122.023 0.916 . . . . 0.0 109.749 174.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.703 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.5 OUTLIER -66.49 -35.67 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.414 -177.246 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 0.5 OUTLIER -55.23 -47.62 75.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.181 176.16 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 3.5 m -70.89 -31.38 68.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 38.3 mt -69.9 -53.01 19.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.902 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.335 -0.841 . . . . 0.0 110.794 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.477 0.179 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.86 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.017 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -62.52 -41.85 99.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.775 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 814' ' ' PHE . 2.0 tp -65.42 -33.88 76.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.689 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -76.58 -36.21 57.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.29 80.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.484 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.37 -13.22 59.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 110.789 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 75.52 16.82 80.4 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.777 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.617 ' HB3' HD22 ' A' ' 851' ' ' LEU . 1.1 m-85 -92.83 10.0 32.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.022 0.439 . . . . 0.0 110.846 -177.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -33.87 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.359 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -62.27 -43.51 98.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.836 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -36.1 77.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.123 0.487 . . . . 0.0 110.314 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.583 ' HB2' HD11 ' A' ' 805' ' ' LEU . 46.3 t80 -60.0 -46.92 87.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.985 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 23.3 m -87.46 -0.2 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 111.609 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 9.9 t70 -95.62 -63.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.186 0.517 . . . . 0.0 110.615 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 4.0 m -79.17 -49.33 12.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.654 -172.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.789 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 39.8 t -56.68 -61.18 7.31 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -168.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.789 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.9 Cg_exo -59.72 -40.65 62.43 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.771 1.647 . . . . 0.0 112.144 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.99 -51.36 59.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.994 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.6 -32.82 72.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.727 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 2.2 t -63.14 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.402 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -65.11 -41.56 94.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.391 176.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.1 OUTLIER -65.54 -37.36 86.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.796 0.332 . . . . 0.0 110.114 176.4 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -44.33 83.16 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.904 174.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -56.87 -44.83 82.63 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.463 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 4.2 m -61.92 -45.64 92.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.229 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 5.3 mm-40 -79.64 -25.74 41.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.403 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.15 88.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.587 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.73 -24.43 65.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.259 0.552 . . . . 0.0 110.669 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 45.6 m -83.17 -14.42 53.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.861 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.91 31.99 8.9 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.529 0.681 . . . . 0.0 110.122 -176.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -88.24 74.25 8.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.451 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.573 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 75.8 m-85 -62.53 -26.73 68.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.483 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.66 98.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.303 0.573 . . . . 0.0 109.783 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.12 -36.02 61.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.627 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.5 OUTLIER -60.49 -44.36 96.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.401 176.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.47 94.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.51 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -58.7 -47.67 83.73 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.16 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -38.95 68.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.868 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.35 78.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.777 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -69.31 -42.32 75.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -48.49 81.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.318 177.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.541 ' HA ' HG22 ' A' ' 847' ' ' VAL . 8.2 mt -66.01 -44.06 85.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.673 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.495 ' NZ ' ' HA ' ' A' ' 861' ' ' GLU . 27.5 ttmt -54.08 -47.35 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.204 177.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -65.42 -48.52 68.04 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.86 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.753 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 27.3 m -65.61 -44.04 93.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.96 0.38 . . . . 0.0 111.391 -176.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -62.36 -41.07 98.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.3 . . . . 0.0 110.333 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.43 96.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.84 176.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -35.68 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.829 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 19.8 mt -80.48 -11.04 59.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.65 0.262 . . . . 0.0 110.479 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.77 26.65 2.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.626 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.519 HD22 ' HE2' ' A' ' 885' ' ' TYR . 0.4 OUTLIER -87.13 84.34 7.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.56 177.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.657 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 1.8 t -53.39 -59.32 9.62 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -173.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.657 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 32.3 Cg_exo -58.58 -40.02 77.66 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.043 1.829 . . . . 0.0 112.194 -177.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -64.25 -45.13 94.4 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.925 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -36.03 82.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 109.988 178.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -59.75 -44.6 93.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.327 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 863' ' ' LEU . 12.3 mt -59.49 -43.46 93.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.315 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 39.3 m -64.82 -30.39 71.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.045 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . 0.495 ' HA ' ' NZ ' ' A' ' 845' ' ' LYS . 9.7 mm-40 -66.07 -53.86 32.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.526 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . 0.494 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -64.83 -38.84 92.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.847 178.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.597 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.5 OUTLIER -57.94 -49.39 76.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.734 0.302 . . . . 0.0 110.548 177.031 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -45.62 75.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.535 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . 0.448 ' O ' ' HG2' ' A' ' 869' ' ' GLU . 3.1 t60 -64.62 -38.18 90.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.688 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . 0.578 HD22 ' HA3' ' A' ' 874' ' ' GLY . 12.9 mt -66.98 -30.31 70.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.889 0.376 . . . . 0.0 110.763 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.604 ' HA ' HD11 ' A' ' 875' ' ' ILE . 33.5 mt -73.66 -39.26 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.523 ' HD2' ' OE2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.3 -36.39 81.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.391 177.482 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.523 ' OE2' ' HD2' ' A' ' 868' ' ' ARG . 77.3 mm-40 -79.52 -10.56 59.82 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.37 177.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm 61.82 42.87 10.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.992 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.58 94.57 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.86 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.494 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.3 t -55.77 -53.94 57.34 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.597 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 9.9 Cg_endo -52.45 -45.02 42.65 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.42 2.08 . . . . 0.0 112.768 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . 0.578 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -62.93 -43.95 98.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.933 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 867' ' ' ILE . 59.1 mt -59.38 -48.26 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.624 0.249 . . . . 0.0 110.626 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -57.64 -52.35 65.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.295 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -58.64 -43.33 89.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.168 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.597 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 8.4 m-85 -71.09 -38.17 72.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.798 -176.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.87 -45.36 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.412 . . . . 0.0 109.915 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 10.6 m -65.97 -29.26 69.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.13 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -32.24 66.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.039 0.447 . . . . 0.0 110.256 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 17.7 mt -73.32 -32.7 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.215 0.531 . . . . 0.0 109.948 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.79 -41.96 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.2 p -70.06 -30.5 67.77 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.042 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . 0.519 ' HE2' HD22 ' A' ' 853' ' ' LEU . 16.9 t80 -59.55 -58.57 8.01 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.838 0.827 . . . . 0.0 110.312 177.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.556 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 8.3 p -68.5 -31.83 52.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.915 -174.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -65.3 -39.23 92.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.01 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 5.4 p -83.52 -19.61 35.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.941 0.401 . . . . 0.0 110.842 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.26 -11.34 38.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.56 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 24.5 mt . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.574 -0.727 . . . . 0.0 111.015 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--O 1.237 0.402 0 CA-C-O 120.872 0.368 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . 0.591 ' HA ' ' CD2' ' A' ' 806' ' ' HIS . . . -58.68 -49.91 75.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.172 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.43 -43.95 96.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.946 0.403 . . . . 0.0 110.213 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -62.19 -45.21 94.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.03 -175.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.591 ' CD2' ' HA ' ' A' ' 803' ' ' ALA . 2.3 p80 -80.09 -15.56 56.89 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.915 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.74 75.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.699 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -18.74 59.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.019 0.438 . . . . 0.0 110.83 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 89.05 32.31 10.89 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.288 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.747 ' HB3' HD22 ' A' ' 851' ' ' LEU . 15.6 m-85 -100.53 11.05 40.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.815 0.341 . . . . 0.0 110.779 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.451 ' HD1' ' HA ' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -57.37 -41.68 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.876 -178.444 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.8 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.504 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -31.18 62.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.417 . . . . 0.0 110.487 -177.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.618 ' CE1' HG22 ' A' ' 886' ' ' VAL . 33.9 t80 -61.41 -52.58 64.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.002 -178.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.8 m -80.22 -2.12 5.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.844 0.354 . . . . 0.0 111.425 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -93.26 -65.37 1.0 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.045 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.07 -41.94 21.81 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -169.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.683 HG11 HG21 ' A' ' 886' ' ' VAL . 6.7 t -63.43 -57.76 18.64 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -168.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.674 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.4 Cg_exo -53.89 -42.8 63.63 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.162 1.908 . . . . 0.0 112.966 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.417 ' HA ' ' HB2' ' A' ' 823' ' ' LYS . 0.2 OUTLIER -83.19 -27.28 30.12 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.672 -175.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.91 -38.42 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.56 -38.91 83.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.776 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 826' ' ' TYR . 0.1 OUTLIER -54.83 -49.36 71.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.529 172.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -39.59 94.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.484 HD23 HD12 ' A' ' 837' ' ' LEU . 0.6 OUTLIER -55.05 -43.59 73.92 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.12 0.486 . . . . 0.0 109.817 174.171 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 823' ' ' LYS . 3.9 m-85 -60.51 -42.7 96.94 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.571 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 1.9 m -70.41 -45.06 66.65 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.463 -176.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.84 -28.02 62.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.497 -177.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.99 91.64 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.47 91.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.155 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.75 -9.09 59.6 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.871 0.367 . . . . 0.0 111.286 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.5 m 64.96 28.89 12.51 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.587 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -85.65 75.11 10.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 173.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -61.53 -29.85 70.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.124 -174.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.1 95.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.136 0.493 . . . . 0.0 109.879 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.47 -36.15 53.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.817 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.566 HD21 HG21 ' A' ' 875' ' ' ILE . 16.7 tp -56.33 -48.04 77.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.295 176.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.21 85.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.664 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -60.29 -45.99 91.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . 0.429 ' HB ' ' HG ' ' A' ' 825' ' ' LEU . 0.2 OUTLIER -65.81 -35.19 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.333 . . . . 0.0 111.066 177.394 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.34 -34.72 78.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.99 0.424 . . . . 0.0 110.212 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . 0.537 ' HA ' ' CD ' ' A' ' 845' ' ' LYS . 1.8 t60 -66.83 -40.91 88.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.226 175.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.459 ' O ' HG22 ' A' ' 847' ' ' VAL . 0.5 OUTLIER -60.24 -47.46 85.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.968 175.202 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 844' ' ' LEU . 3.0 mt -62.15 -48.96 77.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.613 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.537 ' CD ' ' HA ' ' A' ' 842' ' ' HIS . 7.6 ptmt -62.28 -31.06 71.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.56 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -71.16 -48.8 30.0 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.415 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.705 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 13.4 m -67.89 -40.64 83.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.66 0.23 . . . . 0.0 111.103 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.427 ' HD1' ' HB2' ' A' ' 853' ' ' LEU . 13.2 m-85 -60.66 -46.73 89.24 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.69 76.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.974 0.416 . . . . 0.0 110.895 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.3 ttt -67.16 -43.66 81.7 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.747 HD22 ' HB3' ' A' ' 810' ' ' TYR . 8.6 mt -78.71 -8.47 58.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.675 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 78.9 26.04 0.48 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.948 0.78 . . . . 0.0 110.391 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.427 ' HB2' ' HD1' ' A' ' 848' ' ' PHE . 77.9 mt -88.66 78.62 7.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.434 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.517 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.3 OUTLIER -54.09 -56.56 24.71 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 115.181 -0.918 . . . . 0.0 113.196 -172.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.517 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 49.6 Cg_exo -56.43 -41.87 71.6 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.048 1.832 . . . . 0.0 112.231 -178.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . 0.427 ' HA2' HD12 ' A' ' 859' ' ' LEU . . . -63.31 -45.48 95.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.966 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -63.23 -39.31 94.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.738 0.304 . . . . 0.0 110.428 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -43.64 95.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.422 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.427 HD12 ' HA2' ' A' ' 856' ' ' GLY . 31.4 mt -60.21 -41.74 93.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.433 ' HA ' ' HB2' ' A' ' 863' ' ' LEU . 35.5 m -68.87 -25.69 64.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.321 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 845' ' ' LYS . 8.8 mm-40 -65.66 -53.44 41.15 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.229 0.538 . . . . 0.0 109.651 175.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -37.39 86.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.829 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.616 HD11 HG12 ' A' ' 879' ' ' ILE . 0.1 OUTLIER -54.05 -53.03 58.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.653 176.468 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.35 -42.99 78.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.571 179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -59.27 -44.64 92.44 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 15.1 mt -66.77 -32.39 73.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.588 ' HA ' HD11 ' A' ' 875' ' ' ILE . 32.6 mt -77.19 -36.73 24.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.552 0.692 . . . . 0.0 109.255 -178.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.02 -36.75 85.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.708 178.044 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 21.2 pt-20 -90.25 -1.93 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.051 0.453 . . . . 0.0 110.635 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.36 43.4 13.51 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.923 176.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -94.08 92.57 7.37 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.664 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 17.6 t -55.47 -54.63 48.98 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.471 -174.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.664 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 55.6 Cg_exo -52.93 -45.17 42.83 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.443 2.096 . . . . 0.0 112.695 -178.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -66.68 -38.24 93.05 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.137 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 867' ' ' ILE . 65.5 mt -57.46 -58.37 6.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.527 0.203 . . . . 0.0 110.75 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -34.96 79.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.861 -177.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -47.84 83.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.656 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -71.13 -37.67 72.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.833 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.616 HG12 HD11 ' A' ' 863' ' ' LEU . 55.1 mt -62.39 -44.48 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.851 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 22.3 p -68.8 -30.9 69.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.753 0.311 . . . . 0.0 110.407 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -38.79 71.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.573 177.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . 0.448 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 67.8 mt -65.27 -33.09 61.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.476 0.655 . . . . 0.0 109.878 173.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . 0.552 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 4.5 t70 -71.8 -48.1 48.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.354 -177.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 7.4 p -66.4 -33.19 75.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.11 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 50.9 t80 -51.81 -57.28 9.76 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.382 1.087 . . . . 0.0 109.386 173.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.683 HG21 HG11 ' A' ' 818' ' ' VAL . 1.1 t -65.21 -31.72 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 CA-C-N 113.041 -1.89 . . . . 0.0 110.895 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 6.8 mmtp -56.97 -48.67 77.84 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.775 176.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -26.39 60.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 814' ' ' PHE . 0.2 OUTLIER -79.2 -16.13 57.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.762 -178.455 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 56.6 mt . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.835 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.722 0.296 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.79 88.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.003 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -41.21 78.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.515 HD21 ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -62.88 -31.92 73.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.267 0.556 . . . . 0.0 110.343 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -43.28 76.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.454 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -69.07 -26.52 64.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.851 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.84 -11.77 56.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.432 . . . . 0.0 110.944 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 80.49 13.95 80.84 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.398 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.461 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.1 OUTLIER -89.81 -0.28 57.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.146 0.498 . . . . 0.0 110.118 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.515 ' HD1' HD21 ' A' ' 805' ' ' LEU . 59.5 t80 -64.33 -24.31 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.764 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -61.64 -48.65 79.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.004 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -39.59 94.74 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.215 0.531 . . . . 0.0 110.186 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.43 -48.33 71.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.505 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . 0.471 HG12 HD22 ' A' ' 890' ' ' LEU . 34.8 m -93.57 12.02 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.976 0.417 . . . . 0.0 111.435 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -106.59 -59.11 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.68 -40.33 10.79 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.844 HG11 HG21 ' A' ' 886' ' ' VAL . 21.5 t -59.78 -55.52 44.92 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -169.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.629 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.4 Cg_exo -55.7 -49.14 16.8 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.852 1.701 . . . . 0.0 112.648 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 824' ' ' ARG . 26.1 t70 -61.19 -39.78 91.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.874 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.83 -32.21 63.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.464 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 11.5 t -61.8 -51.04 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.812 0.339 . . . . 0.0 110.197 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 820' ' ' ASP . 0.9 OUTLIER -70.58 -25.32 63.02 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.15 177.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -65.44 -46.49 79.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.873 174.145 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.432 HD23 HD23 ' A' ' 837' ' ' LEU . 5.9 mt -56.01 -42.64 76.76 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.258 176.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -58.98 -40.7 85.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.591 175.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 19.7 m -66.17 -45.12 82.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.875 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 5.0 mm-40 -66.2 -33.32 75.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.398 . . . . 0.0 110.329 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . 0.647 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -67.79 -32.48 73.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.497 177.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.53 90.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.264 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.29 -4.41 41.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.284 177.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 56.46 32.15 20.18 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.572 0.749 . . . . 0.0 110.225 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -92.76 76.03 4.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.554 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.572 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 86.1 m-85 -58.31 -29.04 65.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.88 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.33 88.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.329 0.585 . . . . 0.0 110.164 176.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.72 -36.49 50.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.647 HD11 ' HA ' ' A' ' 829' ' ' ALA . 0.7 OUTLIER -55.1 -48.35 73.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.979 173.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 842' ' ' HIS . . . -63.62 -37.84 88.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.2 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -62.27 -48.21 80.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.904 0.383 . . . . 0.0 110.615 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.0 m -63.24 -46.38 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.861 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.61 73.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.996 0.427 . . . . 0.0 111.067 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . 0.447 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 8.1 t60 -67.92 -39.63 83.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.993 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -32.56 71.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.171 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.518 ' HA ' HG22 ' A' ' 847' ' ' VAL . 7.0 mt -68.17 -39.95 82.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.257 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.568 ' HE2' ' HA ' ' A' ' 861' ' ' GLU . 84.6 mttt -50.12 -53.8 24.96 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.177 0.513 . . . . 0.0 110.021 171.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -59.53 -45.85 94.91 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 114.839 -1.073 . . . . 0.0 113.29 -176.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.652 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 20.2 m -71.13 -38.24 70.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 117.28 0.54 . . . . 0.0 111.663 -176.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -67.84 -42.77 80.89 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -65.44 -29.1 69.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.147 0.499 . . . . 0.0 110.322 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 5.0 ttm -64.02 -43.27 96.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.701 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -84.23 -9.46 58.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.389 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.43 35.08 2.07 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.938 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.67 89.72 7.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.45 -1.25 . . . . 0.0 109.101 175.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.998 HG13 ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -58.91 -51.48 81.6 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.486 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.998 ' HD3' HG13 ' A' ' 854' ' ' VAL . 29.4 Cg_exo -61.09 -39.59 58.34 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 121.672 1.581 . . . . 0.0 112.267 -176.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -64.43 -48.45 73.68 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.203 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.45 -35.35 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -57.76 -44.85 86.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.146 0.498 . . . . 0.0 110.364 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 863' ' ' LEU . 19.7 mt -62.22 -43.68 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.481 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 38.8 m -62.92 -33.39 75.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.358 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . 0.568 ' HA ' ' HE2' ' A' ' 845' ' ' LYS . 1.9 mm-40 -67.82 -53.66 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.692 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . 0.546 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -63.26 -32.61 74.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.958 178.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.635 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -60.34 -48.28 82.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.412 175.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . 0.511 ' HA ' HD12 ' A' ' 867' ' ' ILE . 0.9 OUTLIER -61.47 -34.98 76.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.714 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -63.3 -43.51 97.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.895 0.379 . . . . 0.0 110.231 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 15.0 mt -65.41 -31.15 72.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.915 0.388 . . . . 0.0 110.399 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.6 ' HA ' HD11 ' A' ' 875' ' ' ILE . 57.4 mt -72.04 -41.73 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.534 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -27.89 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.82 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -88.08 -7.05 57.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.286 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.33 37.21 25.94 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.14 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -91.58 86.39 6.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.895 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 876' ' ' GLU . 0.7 OUTLIER -52.96 -55.2 35.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.757 -173.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.4 Cg_endo -55.69 -38.14 94.63 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.409 2.073 . . . . 0.0 112.158 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.46 -41.79 90.11 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.615 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 867' ' ' ILE . 52.7 mt -61.89 -55.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.791 -0.205 . . . . 0.0 110.851 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 6.8 pt-20 -59.82 -38.49 82.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.974 -176.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -37.16 85.29 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.844 0.354 . . . . 0.0 110.747 178.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.635 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -71.65 -34.74 70.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.639 0.257 . . . . 0.0 110.686 179.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 875' ' ' ILE . 50.4 mt -63.6 -41.34 92.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 176.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -28.95 66.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.905 0.383 . . . . 0.0 110.44 178.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.84 -35.92 75.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.456 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 7.1 mt -69.97 -33.39 55.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.388 0.614 . . . . 0.0 109.586 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -69.85 -43.52 71.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.373 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.8 p -69.98 -36.69 75.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.176 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -54.61 -58.28 8.14 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 122.473 1.13 . . . . 0.0 109.878 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.844 HG21 HG11 ' A' ' 818' ' ' VAL . 1.0 OUTLIER -68.68 -32.29 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.235 -176.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -55.93 -42.47 76.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.234 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.27 -19.53 24.0 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.37 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -10.56 56.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.58 0.229 . . . . 0.0 111.524 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 86.2 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.505 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 14.5 t30 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.814 0.34 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.16 84.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.518 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.63 -47.47 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.83 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.576 ' HA ' ' HE1' ' A' ' 810' ' ' TYR . 0.0 OUTLIER -62.04 -36.49 81.75 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -177.715 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -71.53 -40.85 69.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.758 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.63 86.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.578 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 12.6 m -68.5 -19.76 64.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 111.133 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 93.66 -2.01 69.53 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.689 -0.767 . . . . 0.0 114.473 168.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.576 ' HE1' ' HA ' ' A' ' 805' ' ' LEU . 0.2 OUTLIER -91.05 39.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.885 0.842 . . . . 0.0 110.958 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -67.22 -26.93 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.405 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.22 77.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.196 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 18.9 mt -59.34 -32.0 69.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.09 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.539 ' O ' ' HD3' ' A' ' 819' ' ' PRO . 30.9 t80 -63.47 -30.94 71.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.847 -176.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.44 -25.13 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.517 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.25 -52.02 10.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.284 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.76 -46.81 4.81 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 -172.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.71 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 95.0 t -53.83 -56.82 21.42 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -172.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.71 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 38.8 Cg_exo -61.65 -33.73 85.71 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.209 1.94 . . . . 0.0 111.977 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -70.09 -38.91 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.2 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -37.55 82.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.627 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 818' ' ' VAL . 92.2 t -62.8 -43.37 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.154 0.502 . . . . 0.0 109.813 174.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . 0.512 ' HB3' ' HE3' ' A' ' 823' ' ' LYS . 15.7 ttpp -64.65 -38.07 89.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.004 175.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -60.73 -42.29 97.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.227 176.352 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.596 HD23 HD12 ' A' ' 837' ' ' LEU . 4.1 mt -55.71 -45.69 77.84 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 174.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -60.76 -36.64 79.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.803 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 7.2 m -70.11 -42.04 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.737 -175.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.505 ' HB2' HD13 ' A' ' 837' ' ' LEU . 47.8 mm-40 -78.61 -27.64 45.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.854 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . 0.539 ' HA ' HD21 ' A' ' 837' ' ' LEU . . . -69.59 -29.64 67.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.074 173.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.74 79.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.808 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.43 -10.98 53.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.166 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 65.4 29.38 11.42 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.5 0.667 . . . . 0.0 110.115 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -84.93 78.47 9.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.272 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.755 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 52.2 m-85 -57.85 -27.64 63.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.482 -178.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.19 93.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.226 0.536 . . . . 0.0 109.882 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' A' ' 839' ' ' GLN . . . -79.1 -29.35 43.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.748 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.755 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.0 OUTLIER -60.4 -46.57 89.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.039 173.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.35 97.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.458 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 836' ' ' ALA . 6.5 mm100 -60.68 -47.62 85.45 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.014 176.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . 0.441 ' CG2' ' HG ' ' A' ' 825' ' ' LEU . 6.0 m -69.01 -38.18 79.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.26 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.32 82.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.162 0.506 . . . . 0.0 109.873 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -70.73 -37.55 73.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.342 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -48.06 81.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.27 177.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 844' ' ' LEU . 1.9 mt -66.35 -41.11 90.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -56.73 -45.9 81.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.931 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.25 -48.11 66.8 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.997 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.566 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 23.7 m -68.26 -36.86 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 117.354 0.577 . . . . 0.0 111.329 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.69 -38.3 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.05 -32.68 74.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.085 0.469 . . . . 0.0 110.328 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -37.47 74.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.582 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 73.1 mt -80.23 -8.49 59.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.157 175.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 68.25 27.01 6.79 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.559 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 853' ' ' LEU . 0.9 OUTLIER -85.66 93.23 8.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.768 179.649 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.648 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 1.7 t -54.06 -58.26 14.35 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -174.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 47.9 Cg_exo -56.88 -42.44 64.51 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.892 1.728 . . . . 0.0 112.154 -178.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.02 -43.21 93.93 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.059 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . 0.614 ' HD3' ' HA ' ' A' ' 854' ' ' VAL . 0.0 OUTLIER -66.09 -38.94 89.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.712 0.291 . . . . 0.0 110.435 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . 0.492 ' N ' ' HG2' ' A' ' 857' ' ' LYS . 33.9 tt0 -65.46 -38.87 91.09 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.607 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -47.5 85.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.01 176.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 57.0 m -64.4 -36.32 83.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.499 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.0 -49.93 75.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.314 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.7 m -68.4 -35.27 77.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.852 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.575 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -60.13 -45.15 93.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.764 0.316 . . . . 0.0 110.213 175.497 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -37.22 81.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.527 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . 0.759 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 4.1 t60 -63.66 -33.89 76.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.328 174.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . 0.538 HD22 ' HA3' ' A' ' 874' ' ' GLY . 11.3 mt -74.57 -33.34 62.66 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 122.132 -0.355 . . . . 0.0 110.314 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.694 HD12 ' HB3' ' A' ' 837' ' ' LEU . 19.1 mm -66.83 -47.58 82.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.05 174.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.759 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -62.23 -34.68 76.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.705 179.115 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.596 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.8 OUTLIER -88.77 -2.73 58.74 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.408 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . 0.408 ' HD2' ' O ' ' A' ' 867' ' ' ILE . 2.2 mptm? 54.12 48.96 19.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.801 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -105.6 96.04 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.714 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.749 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 11.9 t -53.77 -56.98 19.65 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.445 -175.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.749 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.7 Cg_exo -54.34 -45.14 43.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 122.23 1.953 . . . . 0.0 112.42 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . 0.538 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -65.51 -41.3 96.32 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.262 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.521 ' O ' HG13 ' A' ' 879' ' ' ILE . 59.6 mt -56.11 -59.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.412 0.148 . . . . 0.0 110.965 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . 0.551 ' HA ' HD12 ' A' ' 879' ' ' ILE . 10.9 pt-20 -66.53 -34.47 77.98 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.111 -176.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -59.43 -41.31 89.27 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.934 0.397 . . . . 0.0 110.517 177.503 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.575 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 2.5 m-85 -73.96 -32.32 63.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 876' ' ' GLU . 64.7 mt -60.94 -41.69 89.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 1.5 m -63.15 -36.23 82.93 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.655 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.86 -39.96 87.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.819 0.342 . . . . 0.0 110.638 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 94.9 mt -68.57 -33.93 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.129 0.49 . . . . 0.0 110.208 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . 0.508 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 0.0 OUTLIER -72.67 -42.09 64.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.63 -177.21 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.5 p -66.44 -33.22 75.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.743 176.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . 0.445 ' HE2' HD13 ' A' ' 853' ' ' LEU . 36.0 t80 -62.03 -58.11 9.09 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 122.503 1.144 . . . . 0.0 110.157 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.74 -31.41 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-N 113.637 -1.62 . . . . 0.0 110.743 -176.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 7.4 mtpt -69.72 -28.91 66.21 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.781 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 61.8 m -75.27 -28.74 59.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.473 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.15 -58.85 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.262 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--O 1.246 0.885 0 CA-C-O 119.104 -0.474 . . . . 0.0 111.199 -175.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 806' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.37 0.129 . . . . 0.0 110.826 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.37 73.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.343 . . . . 0.0 111.225 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -39.59 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.491 -177.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 814' ' ' PHE . 0.1 OUTLIER -64.42 -33.69 76.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.655 178.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 802' ' ' ASN . 3.1 t-160 -74.49 -44.64 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.582 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.04 76.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.834 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 3.1 p -80.21 -6.07 57.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.765 0.317 . . . . 0.0 111.134 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 76.39 12.27 84.4 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.574 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.443 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.3 OUTLIER -80.49 -8.41 59.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.891 0.377 . . . . 0.0 110.514 -178.439 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -55.46 -37.91 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.978 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.98 94.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.845 177.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -37.06 83.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.228 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 805' ' ' LEU . 88.7 t80 -63.78 -53.86 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.862 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.79 -17.13 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -175.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -74.84 -65.38 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -95.87 -36.89 10.95 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -171.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.654 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 64.4 t -58.1 -56.79 31.3 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -169.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.654 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 31.6 Cg_exo -59.4 -41.98 53.08 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.922 1.748 . . . . 0.0 112.55 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.927 ' HA ' ' HD3' ' A' ' 823' ' ' LYS . 0.5 OUTLIER -73.48 -34.31 65.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.751 -177.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -35.27 80.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 175.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.595 ' HA ' HD12 ' A' ' 825' ' ' LEU . 49.9 t -63.9 -46.57 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.992 177.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . 0.927 ' HD3' ' HA ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -70.24 -26.11 63.69 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.348 178.335 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -68.47 -38.08 80.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 172.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 822' ' ' VAL . 4.0 mt -60.57 -41.22 94.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 172.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.835 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 17.0 m-85 -55.1 -42.55 73.06 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.023 173.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 6.0 m -66.6 -45.26 79.76 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.621 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.9 77.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.227 -177.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.87 82.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.819 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.15 -26.88 66.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.513 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.86 1.05 52.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.548 0.213 . . . . 0.0 111.338 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.2 m 62.11 32.23 17.53 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.355 0.597 . . . . 0.0 110.692 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.64 70.45 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.332 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -58.45 -38.23 77.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.669 -173.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.85 85.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.347 0.594 . . . . 0.0 110.731 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . 0.622 ' O ' ' HG3' ' A' ' 839' ' ' GLN . . . -80.76 -34.22 34.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.515 0.674 . . . . 0.0 109.293 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.517 HD21 HG21 ' A' ' 875' ' ' ILE . 15.1 tp -59.04 -39.58 82.42 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.788 172.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.41 -50.22 70.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.475 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . 0.622 ' HG3' ' O ' ' A' ' 836' ' ' ALA . 1.7 pp0? -61.26 -34.6 75.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.306 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.2 m -71.27 -43.73 66.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.876 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.66 -32.03 73.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.135 0.493 . . . . 0.0 110.334 177.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . 0.814 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 8.7 t60 -59.96 -49.9 75.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.114 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 843' ' ' ARG . 1.3 ttm180 -65.77 -37.33 86.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.956 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.485 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.2 OUTLIER -63.0 -48.36 79.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.169 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.814 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -62.53 -32.16 73.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.463 . . . . 0.0 109.895 177.567 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 845' ' ' LYS . . . -68.26 -49.66 44.46 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.666 177.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 844' ' ' LEU . 20.7 m -64.09 -36.08 75.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.91 0.355 . . . . 0.0 110.899 -178.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -64.21 -43.41 95.09 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.57 77.42 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 4.6 mtm -59.03 -50.4 74.23 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.51 0.672 . . . . 0.0 110.633 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.02 -1.34 56.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.483 -176.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 73.36 26.47 2.04 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.53 0.681 . . . . 0.0 111.033 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.0 mt -86.2 72.59 10.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.256 176.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.694 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 21.9 t -51.39 -54.69 36.01 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.78 -175.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.694 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 46.5 Cg_exo -56.56 -37.75 96.83 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.095 1.863 . . . . 0.0 112.398 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.42 -44.36 84.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.508 178.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 861' ' ' GLU . 4.3 tttm -63.52 -39.43 94.41 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -55.04 -44.51 74.73 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.583 177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.36 -44.47 95.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.306 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 77.3 m -66.71 -35.54 80.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.543 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 857' ' ' LYS . 75.9 mm-40 -60.77 -48.07 83.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.394 0.616 . . . . 0.0 110.076 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.4 m -67.43 -32.33 73.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.604 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.723 ' HA ' HD12 ' A' ' 866' ' ' LEU . 0.2 OUTLIER -60.65 -47.79 84.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.204 174.668 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 867' ' ' ILE . 1.7 mt-10 -58.89 -37.59 76.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 0.0 110.224 176.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . 0.485 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 1.9 t60 -62.19 -39.73 93.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.171 175.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 863' ' ' LEU . 11.7 mt -67.45 -43.13 81.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.388 178.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.569 ' HA ' HD11 ' A' ' 875' ' ' ILE . 23.8 mt -64.69 -44.42 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.486 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -61.17 -33.73 73.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.153 -178.599 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 10.9 pt-20 -102.78 12.94 35.56 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.296 -0.561 . . . . 0.0 111.357 -178.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 58.03 38.31 26.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.126 -0.943 . . . . 0.0 112.406 173.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -88.1 83.28 7.01 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 173.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.533 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 0.7 OUTLIER -56.82 -54.35 55.12 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.004 -178.071 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.533 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 36.9 Cg_exo -59.1 -34.95 98.87 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.104 1.869 . . . . 0.0 112.395 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . 0.552 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -67.18 -42.13 91.56 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.737 176.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 867' ' ' ILE . 39.6 mt -55.78 -50.32 68.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.139 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -55.53 -48.16 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.002 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -49.1 78.54 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.231 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -69.47 -33.77 73.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.42 -44.37 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.23 177.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -35.39 80.95 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.891 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -71.13 -36.65 72.18 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.985 0.421 . . . . 0.0 111.093 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 80.4 mt -68.93 -34.27 63.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.311 0.577 . . . . 0.0 109.93 174.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.32 -44.72 67.65 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.516 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.9 p -64.61 -40.04 94.79 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.195 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.07 -55.92 27.05 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.776 0.798 . . . . 0.0 109.998 176.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 1.4 t -61.54 -36.19 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.886 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . 0.466 ' HA ' HD12 ' A' ' 890' ' ' LEU . 0.0 OUTLIER -65.55 -38.55 89.92 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -25.69 61.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.996 0.427 . . . . 0.0 110.402 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.96 -24.06 52.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.774 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 887' ' ' LYS . 28.6 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.186 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . 0.972 ' HA ' HD23 ' A' ' 805' ' ' LEU . 24.7 t30 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.011 0.434 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . 0.416 ' HA ' ' HD2' ' A' ' 806' ' ' HIS . . . -61.72 -44.29 97.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.201 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -50.58 71.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.972 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.1 OUTLIER -65.07 -37.22 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.687 -176.206 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.532 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 0.0 OUTLIER -82.55 -16.56 48.13 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.129 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -78.78 -34.44 45.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 110.78 176.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -15.14 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.104 0.478 . . . . 0.0 110.88 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.32 33.91 11.2 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.169 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -106.98 14.3 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 110.483 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.467 ' HD1' ' HA ' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -69.25 -32.2 71.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.28 -178.56 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.21 93.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.552 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.7 tt -67.44 -39.65 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.395 177.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -56.6 -38.04 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.82 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . 0.432 HG12 HD22 ' A' ' 890' ' ' LEU . 24.5 m -99.36 1.92 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.701 0.286 . . . . 0.0 111.46 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -96.87 -68.48 0.8 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.113 -176.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.29 -24.51 15.64 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -171.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.644 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 52.2 t -64.81 -54.24 36.99 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.644 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 51.7 Cg_exo -54.72 -44.35 50.49 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.17 1.913 . . . . 0.0 112.82 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.72 -26.97 61.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.374 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -75.66 -32.43 60.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 110.253 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.562 ' HA ' HD12 ' A' ' 825' ' ' LEU . 78.9 t -63.76 -41.42 92.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 170.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.2 OUTLIER -61.42 -37.47 83.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.18 174.095 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.655 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 5.0 ttm105 -59.7 -45.2 92.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.123 176.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 822' ' ' VAL . 12.8 mt -55.72 -43.68 76.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.953 0.406 . . . . 0.0 110.316 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.418 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 20.1 m-85 -59.04 -40.91 86.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.43 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 4.7 m -67.41 -46.19 73.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.493 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.655 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.1 mm-40 -71.63 -30.03 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.65 -177.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . 0.425 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -67.45 -38.46 84.53 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.351 176.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.28 -39.39 93.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.354 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 1.4 p -84.68 -7.81 59.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.359 . . . . 0.0 111.117 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.94 31.02 7.34 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.238 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -88.07 78.16 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.255 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.684 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 51.7 m-85 -65.77 -18.32 65.25 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.367 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -71.63 -41.53 68.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.278 0.561 . . . . 0.0 109.583 173.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.13 -35.01 56.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.295 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.684 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 5.7 mt -55.63 -48.82 74.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.091 174.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.93 98.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.988 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.06 -37.52 87.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.373 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . 0.608 ' O ' ' HG2' ' A' ' 843' ' ' ARG . 6.1 m -70.97 -40.51 71.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.723 0.297 . . . . 0.0 110.589 177.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.0 -32.83 74.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.995 0.426 . . . . 0.0 110.039 175.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -49.36 78.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.798 175.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 840' ' ' THR . 2.9 ptm85 -68.28 -36.22 79.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.915 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.555 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.1 OUTLIER -69.07 -39.87 78.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 110.26 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -58.28 -44.37 88.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.734 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.02 78.14 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.09 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' A' ' 844' ' ' LEU . 30.8 m -69.2 -34.61 64.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 117.006 0.403 . . . . 0.0 111.361 -177.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.465 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 1.6 m-30 -71.52 -40.47 70.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.54 -38.19 83.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.24 -44.25 88.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.428 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 84.6 mt -72.42 -9.79 58.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.3 m-80 79.99 20.98 0.56 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.855 0.722 . . . . 0.0 110.187 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.417 HD11 HD22 ' A' ' 889' ' ' LEU . 0.2 OUTLIER -87.05 78.31 8.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.523 177.056 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.498 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 1.6 t -53.04 -53.24 57.6 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.776 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 19.4 Cg_endo -58.69 -32.89 97.79 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.26 1.973 . . . . 0.0 112.13 177.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.05 -47.52 64.72 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.641 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -34.65 78.54 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -42.16 91.13 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.684 176.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 855' ' ' PRO . 77.8 mt -62.03 -46.68 88.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.345 176.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.95 -35.78 79.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.0 -48.8 78.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.079 0.466 . . . . 0.0 110.435 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . 0.433 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 3.6 m -68.78 -30.14 68.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.959 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -60.89 -48.79 80.2 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 173.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . 0.503 ' HA ' HD12 ' A' ' 867' ' ' ILE . 25.2 mt-10 -58.64 -37.41 75.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.394 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . 0.59 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 1.0 OUTLIER -64.82 -36.68 85.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.356 176.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 4.5 mt -72.64 -36.05 67.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.867 0.365 . . . . 0.0 110.18 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 864' ' ' GLU . 30.7 mt -65.92 -43.39 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.183 175.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.59 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -65.95 -29.1 69.45 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.456 177.605 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 8.7 tt0 -83.27 -15.58 49.68 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.083 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.27 33.25 19.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.568 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -87.74 82.64 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 176.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 876' ' ' GLU . 73.1 t -50.08 -55.63 23.22 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.688 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.3 Cg_endo -54.11 -43.3 59.62 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.187 1.925 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.36 -34.02 83.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.32 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.518 ' O ' HG13 ' A' ' 879' ' ' ILE . 66.2 mt -61.78 -56.52 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 0.9 OUTLIER -60.82 -39.82 90.45 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.643 0.258 . . . . 0.0 110.811 -178.058 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -40.35 95.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.864 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.433 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.1 OUTLIER -70.11 -32.88 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.811 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 875' ' ' ILE . 69.3 mt -63.77 -40.72 90.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -31.37 68.45 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.442 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -69.81 -40.52 75.87 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.219 0.533 . . . . 0.0 110.346 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 81.1 mt -66.41 -33.64 64.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.83 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 8.7 t70 -73.67 -43.31 59.76 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.825 -177.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 4.0 p -63.86 -31.36 72.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.005 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -51.06 70.46 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.56 0.695 . . . . 0.0 109.46 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.506 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.5 OUTLIER -64.7 -31.79 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.345 178.532 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 34.0 mmtm -58.19 -45.41 87.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.809 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -21.13 37.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.568 -176.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . 0.417 HD22 HD11 ' A' ' 853' ' ' LEU . 0.1 OUTLIER -87.75 -22.03 24.8 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 6.5 mt . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.694 -0.67 . . . . 0.0 110.879 177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.726 0.298 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.1 77.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -65.22 -34.81 79.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.505 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.65 -34.18 77.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.208 0.528 . . . . 0.0 110.326 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.536 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 4.9 t-160 -72.01 -43.77 64.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 175.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.46 79.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.986 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -18.17 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.065 0.46 . . . . 0.0 111.015 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 86.15 -5.1 85.09 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.351 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -81.61 -0.6 43.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.027 0.441 . . . . 0.0 110.38 -178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.536 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.3 t80 -52.63 -41.69 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.422 174.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.13 90.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.158 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -43.66 84.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.211 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.591 ' CZ ' HG22 ' A' ' 886' ' ' VAL . 76.7 t80 -55.32 -51.52 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.394 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . 0.459 HG12 HD22 ' A' ' 890' ' ' LEU . 32.1 m -81.15 -10.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.76 0.314 . . . . 0.0 111.81 -176.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -78.56 -63.4 1.41 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.668 0.27 . . . . 0.0 111.136 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.44 -49.63 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -172.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.723 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 49.0 t -52.2 -59.2 8.95 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -168.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.723 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.1 Cg_exo -57.37 -47.29 22.73 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.001 1.8 . . . . 0.0 112.727 -176.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.517 ' HA ' ' HE3' ' A' ' 823' ' ' LYS . 0.7 OUTLIER -71.66 -29.76 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.775 -177.529 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -31.47 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.253 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 42.0 t -63.48 -43.76 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 173.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . 0.517 ' HE3' ' HA ' ' A' ' 820' ' ' ASP . 15.9 mtmt -59.76 -41.47 91.11 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.181 174.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.532 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 6.8 tpt180 -63.01 -44.93 94.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.294 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.26 -45.73 79.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.497 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -37.39 75.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.101 0.477 . . . . 0.0 110.618 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 39.7 m -67.02 -45.56 77.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.851 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 9.0 mm-40 -72.87 -27.74 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.664 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.29 -35.74 80.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.135 175.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.09 73.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.989 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -5.65 58.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.172 178.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 64.27 30.19 13.54 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.586 0.707 . . . . 0.0 110.23 -177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -84.34 74.54 10.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.963 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.42 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 35.5 m-85 -59.08 -29.81 67.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.807 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.34 94.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.034 0.445 . . . . 0.0 110.216 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.7 -36.89 59.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.589 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.8 OUTLIER -56.64 -50.0 73.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.058 174.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.44 95.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.25 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -60.33 -47.67 85.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.075 0.464 . . . . 0.0 111.22 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.2 m -68.69 -39.52 80.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.34 86.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.381 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . 0.607 ' O ' ' HG2' ' A' ' 845' ' ' LYS . 0.1 OUTLIER -56.92 -49.85 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.382 174.833 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 843' ' ' ARG . 5.2 ttm180 -63.7 -40.71 97.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.188 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.444 ' HA ' HG22 ' A' ' 847' ' ' VAL . 2.6 mt -69.94 -41.05 75.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.216 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 842' ' ' HIS . 15.9 ptmt -64.23 -32.79 74.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.126 177.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.19 -46.47 64.7 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.497 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.444 HG22 ' HA ' ' A' ' 844' ' ' LEU . 15.5 m -69.18 -36.66 74.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 117.005 0.402 . . . . 0.0 111.739 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -72.12 -39.89 68.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 0.0 110.098 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.66 84.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.289 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.5 ttm -64.91 -40.31 94.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.164 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 44.0 mt -78.73 -9.82 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.759 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 76.91 6.74 3.22 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.663 0.744 . . . . 0.0 110.683 173.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.09 93.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.589 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.493 ' HB ' ' CD ' ' A' ' 855' ' ' PRO . 16.4 t -56.1 -60.17 9.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.42 -174.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.543 ' HG2' ' OH ' ' A' ' 885' ' ' TYR . 10.5 Cg_endo -55.84 -42.16 69.95 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.174 1.916 . . . . 0.0 112.517 -178.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 859' ' ' LEU . . . -64.04 -46.35 91.5 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.226 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . 0.721 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 0.0 OUTLIER -67.6 -37.69 82.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.446 -179.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -36.07 78.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.294 174.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 856' ' ' GLY . 19.6 mt -62.19 -49.45 75.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.744 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.721 ' SG ' ' HA ' ' A' ' 857' ' ' LYS . 0.1 OUTLIER -70.88 -34.89 72.05 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.394 -177.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.96 -45.85 87.26 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.091 0.472 . . . . 0.0 110.432 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 25.0 m -65.22 -37.13 86.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.167 176.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.701 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.8 OUTLIER -60.31 -43.35 96.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.414 176.453 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.27 -45.74 83.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.174 0.511 . . . . 0.0 110.432 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . 0.588 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 17.8 t60 -64.74 -33.63 76.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.443 177.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 863' ' ' LEU . 26.1 mt -68.92 -40.04 79.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.836 0.35 . . . . 0.0 110.383 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.507 ' HA ' HD11 ' A' ' 875' ' ' ILE . 36.3 mt -67.07 -44.81 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 177.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -62.0 -34.89 77.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.321 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -90.26 -0.5 57.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.73 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.1 42.98 30.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.027 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -91.53 80.05 5.45 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.507 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 1.9 t -53.3 -50.13 84.27 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.803 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 12.5 Cg_endo -56.89 -43.27 55.94 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.102 1.868 . . . . 0.0 112.419 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . 0.468 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -63.81 -43.99 96.86 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.879 -0.676 . . . . 0.0 111.863 177.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.507 HD11 ' HA ' ' A' ' 867' ' ' ILE . 62.3 mt -55.72 -50.63 66.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.649 0.262 . . . . 0.0 110.411 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -53.88 -49.65 68.05 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.988 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -40.38 96.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.123 -177.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.701 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 3.1 m-85 -75.99 -32.15 59.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.414 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 875' ' ' ILE . 17.0 mm -60.18 -49.59 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.31 -28.78 66.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.675 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . 0.427 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -69.21 -34.87 75.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.853 0.358 . . . . 0.0 110.657 177.644 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 10.4 mt -71.06 -33.56 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 173.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.87 -45.62 67.28 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 6.5 p -66.22 -32.63 74.18 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.246 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . 0.543 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 24.7 t80 -57.39 -58.22 9.21 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 122.462 1.125 . . . . 0.0 109.715 175.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.626 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 2.0 t -65.75 -35.98 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.967 -1.924 . . . . 0.0 110.275 -176.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 4.0 mttp -56.36 -45.7 80.35 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.965 176.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.3 m -83.25 -15.48 50.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.238 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.24 -33.49 59.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 178.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.321 175.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 32.1 t30 . . . . . 0 CA--C 1.524 -0.03 0 CA-C-O 120.491 0.186 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.5 91.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -67.5 -45.24 76.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.858 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.61 HD21 ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -69.59 -26.52 64.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.582 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.43 -46.45 63.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.836 174.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.12 82.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.95 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -12.0 60.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 76.87 17.68 79.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.939 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.499 ' HB3' ' CD2' ' A' ' 851' ' ' LEU . 10.0 m-30 -94.03 -6.71 44.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.941 0.4 . . . . 0.0 110.469 -177.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.61 ' HD1' HD21 ' A' ' 805' ' ' LEU . 91.2 t80 -59.31 -36.17 75.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.482 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.16 -37.23 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.2 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.4 mt -78.22 -34.62 49.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.288 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.535 ' HB2' HD11 ' A' ' 805' ' ' LEU . 53.4 t80 -57.83 -53.46 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.44 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 811' ' ' TYR . 9.1 m -79.04 -9.12 12.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.501 -177.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -85.24 -70.66 0.57 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.999 0.428 . . . . 0.0 111.439 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 3.4 t -89.53 -32.11 17.32 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -171.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.639 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 63.4 t -62.65 -55.03 42.57 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.639 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.1 Cg_exo -61.07 -38.86 64.45 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.584 1.523 . . . . 0.0 111.812 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.27 -29.04 63.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.446 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . 0.589 ' HB3' HD11 ' A' ' 844' ' ' LEU . 0.3 OUTLIER -68.02 -37.2 81.1 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.537 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 883' ' ' ASP . 56.1 t -61.66 -41.37 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.91 173.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -59.74 -39.96 86.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.234 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.67 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -61.01 -45.74 93.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.177 176.73 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 822' ' ' VAL . 30.3 mt -52.48 -46.47 66.57 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.533 176.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -36.18 82.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.768 178.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 19.0 m -66.15 -45.55 80.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.7 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 7.2 mm-40 -67.57 -34.58 77.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . 0.428 ' HA ' HD21 ' A' ' 837' ' ' LEU . . . -63.65 -41.48 98.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.793 177.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -68.14 -29.21 68.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.164 0.506 . . . . 0.0 110.641 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 6.7 m -83.53 -12.0 56.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.807 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.4 25.55 15.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.625 0.726 . . . . 0.0 109.896 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -91.74 78.04 5.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.337 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.767 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 24.8 m-85 -62.6 -22.69 66.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.727 -178.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.68 -40.15 92.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.282 0.563 . . . . 0.0 109.708 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -76.16 -32.12 58.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.008 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.767 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.0 OUTLIER -55.6 -49.96 71.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.812 173.449 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.82 99.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.227 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -60.28 -44.74 95.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.993 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 6.0 m -66.92 -44.19 81.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.925 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.57 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.971 0.415 . . . . 0.0 110.728 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -47.8 84.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.143 175.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.526 ' HD2' ' OD1' ' A' ' 821' ' ' ASP . 32.5 ttm105 -62.13 -44.46 96.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.392 178.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 821' ' ' ASP . 0.1 OUTLIER -64.82 -38.11 89.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.035 -178.22 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.639 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 8.5 ttmt -62.25 -43.81 97.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.853 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.25 -47.98 61.18 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.612 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.68 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 27.6 m -66.06 -36.53 77.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-N 116.872 0.336 . . . . 0.0 111.279 -177.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.43 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 0.2 OUTLIER -67.33 -40.97 85.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.732 0.301 . . . . 0.0 110.365 179.339 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.9 86.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.221 175.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -36.84 78.21 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.818 177.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 70.4 mt -74.44 -11.76 60.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.412 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 79.11 14.96 1.06 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.642 176.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.7 83.31 8.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.8 177.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.436 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 12.1 t -53.46 -56.85 20.42 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.296 -176.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 12.9 Cg_endo -56.83 -32.9 93.33 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.13 1.886 . . . . 0.0 112.216 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.51 -45.39 78.2 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.696 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -36.27 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -63.35 -39.08 93.57 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.635 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.24 -49.18 78.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.486 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 29.7 m -63.44 -34.25 77.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.097 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . 0.639 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 1.2 mm-40 -61.02 -51.81 67.64 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.153 0.502 . . . . 0.0 110.394 177.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . 0.475 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.7 m -65.13 -36.32 83.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.946 178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.594 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -58.56 -49.64 76.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.154 176.565 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.17 -39.93 80.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.768 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . 0.4 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 2.6 t60 -67.45 -36.12 80.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.614 177.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 28.4 mt -67.11 -39.88 86.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.933 0.397 . . . . 0.0 110.471 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.428 ' HA ' HD11 ' A' ' 875' ' ' ILE . 29.5 mt -66.04 -42.63 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.405 177.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.83 -28.5 69.03 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.763 178.73 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 20.0 mm-40 -85.06 -5.2 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.145 178.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 57.17 38.65 29.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.986 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -89.17 86.66 6.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.506 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.617 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 0.5 OUTLIER -53.37 -58.51 12.42 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.815 -170.771 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.617 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 42.6 Cg_exo -57.35 -36.15 98.88 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.072 1.848 . . . . 0.0 112.046 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -65.72 -40.15 95.63 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.036 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 872' ' ' VAL . 41.0 mt -62.55 -52.9 54.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.743 0.306 . . . . 0.0 110.474 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 872' ' ' VAL . 8.7 mt-10 -59.23 -43.43 92.35 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.592 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -59.69 -47.75 84.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.733 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.598 ' HA ' ' HB2' ' A' ' 881' ' ' ASP . 0.2 OUTLIER -69.31 -33.73 73.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.741 -176.328 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 77.6 mt -58.78 -47.15 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 1.5 m -67.84 -28.72 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.967 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . 0.598 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 2.6 m-20 -69.07 -40.89 78.19 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.123 0.487 . . . . 0.0 110.621 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.91 -33.67 60.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.147 0.499 . . . . 0.0 109.976 175.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . 0.777 ' HB2' HG11 ' A' ' 822' ' ' VAL . 1.9 t70 -69.61 -46.69 65.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.612 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 9.6 p -64.18 -32.95 74.73 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.313 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -55.16 28.29 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.055 0.931 . . . . 0.0 110.091 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.586 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.3 t -61.94 -39.48 83.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.465 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -64.55 -33.61 76.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.719 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.3 -27.45 42.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.444 176.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -48.19 80.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.973 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.264 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . 0.559 ' HA ' HD23 ' A' ' 805' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.597 0.237 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.87 89.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.901 0.381 . . . . 0.0 110.613 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -45.67 74.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.765 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -63.5 -34.24 77.34 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.105 0.479 . . . . 0.0 110.358 179.346 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -68.29 -42.02 80.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.324 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -66.06 -29.24 69.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.817 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 -2.8 58.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.821 0.343 . . . . 0.0 111.218 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 72.07 32.21 63.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.085 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.41 ' HB3' HD22 ' A' ' 851' ' ' LEU . 13.7 m-85 -96.21 0.66 51.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.679 0.276 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -42.47 94.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -60.9 -32.24 71.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.57 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.84 -33.78 24.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.071 0.462 . . . . 0.0 109.885 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -60.78 -46.16 91.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.626 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . 0.64 HG12 HD22 ' A' ' 890' ' ' LEU . 18.7 m -82.81 -6.17 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.709 -178.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . 0.525 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 8.0 t70 -90.65 -72.49 0.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.872 0.368 . . . . 0.0 111.386 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 3.8 t -79.57 -31.15 41.86 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -171.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.678 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 94.0 t -63.58 -55.54 33.78 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.982 -173.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.678 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 38.2 Cg_exo -59.51 -35.43 95.82 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.846 1.697 . . . . 0.0 112.203 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 823' ' ' LYS . 5.4 t0 -71.44 -39.81 70.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.343 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.76 -34.82 74.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.451 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.11 -37.87 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 173.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 820' ' ' ASP . 1.4 mtpt -57.06 -55.43 34.87 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.93 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.516 ' HG3' HG21 ' A' ' 840' ' ' THR . 2.4 ptp180 -64.74 -36.08 83.14 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.92 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.569 HD23 HD23 ' A' ' 837' ' ' LEU . 1.1 mt -55.14 -48.88 73.07 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.14 0.495 . . . . 0.0 110.209 175.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.413 ' HD1' ' HA ' ' A' ' 826' ' ' TYR . 0.0 OUTLIER -65.42 -42.42 92.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.819 178.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 29.9 m -65.52 -42.45 92.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.803 -174.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.492 ' HA ' ' OG1' ' A' ' 831' ' ' THR . 5.8 mm-40 -78.61 -25.13 45.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.001 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . 0.807 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -63.15 -35.84 81.63 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 172.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.61 89.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.833 174.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . 0.492 ' OG1' ' HA ' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -72.17 -9.74 58.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.572 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.3 m 62.31 32.94 16.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.716 0.77 . . . . 0.0 109.692 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.68 73.65 10.39 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.174 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.543 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 62.1 m-85 -59.65 -29.45 68.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.222 -176.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 839' ' ' GLN . . . -64.39 -41.31 96.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.241 0.543 . . . . 0.0 109.953 175.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.31 -36.4 54.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.807 HD11 ' HA ' ' A' ' 829' ' ' ALA . 1.8 mt -55.64 -49.21 73.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.113 175.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.7 98.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.118 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 835' ' ' ALA . 64.9 mm-40 -61.96 -45.43 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.845 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . 0.516 HG21 ' HG3' ' A' ' 824' ' ' ARG . 2.3 m -70.78 -37.16 73.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.107 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.41 93.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.056 0.455 . . . . 0.0 109.961 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -40.5 97.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.467 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -59.92 -50.38 73.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.562 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.493 ' HA ' HG22 ' A' ' 847' ' ' VAL . 1.6 tp -67.66 -37.53 82.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.714 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.711 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 10.1 ttmt -61.39 -43.44 98.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.168 176.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.29 76.37 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.681 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.52 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 26.1 m -70.97 -30.31 40.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.865 0.333 . . . . 0.0 111.353 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.42 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 2.8 m-30 -70.87 -46.27 62.93 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.15 -25.57 67.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.242 0.544 . . . . 0.0 110.059 174.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -48.84 31.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.446 175.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 13.6 mt -90.83 19.58 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.196 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 58.93 35.44 24.14 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.102 0.961 . . . . 0.0 112.008 170.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.64 67.66 2.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.644 171.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.507 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -56.9 -54.7 51.48 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.674 -171.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.507 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 51.3 Cg_exo -55.73 -39.2 92.49 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.141 1.894 . . . . 0.0 112.341 177.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.64 -42.42 95.45 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.437 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -42.39 99.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -38.12 77.77 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.221 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.97 -43.15 96.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.339 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.454 ' HB2' ' HB2' ' A' ' 845' ' ' LYS . 34.3 m -64.78 -36.44 84.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.299 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . 0.711 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 2.4 mt-10 -64.14 -48.68 75.09 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.21 0.529 . . . . 0.0 110.173 177.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . 0.688 ' HB ' ' HE2' ' A' ' 878' ' ' TYR . 2.4 m -64.57 -32.97 74.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.609 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.426 ' HG ' ' CB ' ' A' ' 878' ' ' TYR . 0.5 OUTLIER -60.25 -45.91 91.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.125 174.793 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.19 -43.03 78.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.404 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -65.14 -40.78 94.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.951 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.47 -33.78 76.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.16 0.505 . . . . 0.0 110.3 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.487 ' HA ' HD11 ' A' ' 875' ' ' ILE . 16.1 mt -68.2 -42.44 84.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.437 0.637 . . . . 0.0 109.56 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.68 -33.38 74.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.54 179.198 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 1.8 tp10 -76.94 -12.85 60.01 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.73 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 65.34 43.71 3.42 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.151 -177.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -99.88 87.82 3.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.596 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.548 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 3.4 t -58.83 -50.31 88.67 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.137 -175.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 7.3 Cg_endo -51.5 -45.35 38.15 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.28 1.987 . . . . 0.0 112.375 176.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -63.0 -40.35 99.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.293 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 872' ' ' VAL . 61.7 mt -59.67 -54.69 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.44 0.162 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -65.56 -34.41 78.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.745 0.307 . . . . 0.0 110.842 -177.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 3.7 mtpp -64.92 -43.44 92.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.411 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.688 ' HE2' ' HB ' ' A' ' 862' ' ' THR . 2.4 m-85 -69.65 -34.11 73.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.737 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.9 -43.5 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 3.8 m -67.61 -31.0 70.73 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.801 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 885' ' ' TYR . 3.8 m-20 -73.78 -35.45 64.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.257 0.551 . . . . 0.0 110.448 178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 11.2 mt -68.46 -33.42 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.702 174.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -47.29 62.25 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.484 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.7 p -62.5 -38.7 90.92 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.812 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . 0.434 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 1.2 t80 -62.81 -55.84 22.74 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.212 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.545 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.2 t -62.81 -32.26 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.588 -1.187 . . . . 0.0 110.37 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.85 -43.87 86.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.008 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -25.33 37.3 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.49 -178.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -17.19 34.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.64 HD22 HG12 ' A' ' 815' ' ' VAL . 18.0 mt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.515 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . 0.481 ' HA ' HD23 ' A' ' 805' ' ' LEU . 3.0 t-20 . . . . . 0 C--O 1.237 0.428 0 CA-C-O 121.003 0.43 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.37 75.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.858 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -64.84 -38.11 89.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.918 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -61.88 -43.06 99.61 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -177.443 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.438 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 1.1 p80 -80.94 -21.32 40.53 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.827 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -72.11 -40.48 68.12 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.752 0.311 . . . . 0.0 111.318 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.1 p -78.4 -15.95 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.964 0.411 . . . . 0.0 110.796 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.93 26.02 30.31 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.712 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.594 ' HB3' HD22 ' A' ' 851' ' ' LEU . 8.1 m-30 -92.58 11.97 24.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.068 0.461 . . . . 0.0 110.723 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -40.14 86.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.117 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.43 76.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 -177.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 47.6 mt -70.16 -33.55 71.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.066 0.46 . . . . 0.0 110.302 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -65.48 -52.57 51.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.075 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.5 -25.16 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.835 -175.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . 0.608 ' O ' ' HB ' ' A' ' 817' ' ' THR . 1.3 t0 -100.26 52.35 0.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.637 -177.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . 0.608 ' HB ' ' O ' ' A' ' 816' ' ' ASP . 3.6 t 173.9 -45.77 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.452 170.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.458 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 95.0 t -65.3 -61.75 5.6 Favored Pre-proline 0 CA--C 1.535 0.384 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -171.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.458 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 19.3 Cg_endo -60.31 -35.15 92.54 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.783 1.656 . . . . 0.0 112.107 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.25 -38.28 75.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.864 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 824' ' ' ARG . 4.5 m-20 -70.54 -29.68 66.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.024 177.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.414 ' HA ' HD12 ' A' ' 825' ' ' LEU . 36.5 t -64.23 -45.57 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.367 175.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -64.81 -36.19 83.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.159 0.504 . . . . 0.0 109.99 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.618 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 2.9 ttm180 -61.32 -47.17 87.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.841 175.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.464 ' HG ' HG21 ' A' ' 840' ' ' THR . 16.5 mt -52.68 -45.9 67.02 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.295 0.372 . . . . 0.0 110.329 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -55.35 -44.17 75.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 110.481 176.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 17.2 m -67.57 -46.26 73.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.162 -176.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 30.9 mm-40 -74.13 -32.49 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -176.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.67 81.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.729 0.299 . . . . 0.0 110.551 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.22 92.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.211 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 -7.3 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.444 178.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 59.6 m 66.9 36.88 4.18 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.333 0.587 . . . . 0.0 110.705 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -81.46 75.94 8.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.526 0.679 . . . . 0.0 109.279 175.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.459 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 64.1 m-85 -62.82 -24.56 67.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.429 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.58 86.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.247 0.546 . . . . 0.0 110.087 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.23 -35.27 55.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.809 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.56 HD23 HG12 ' A' ' 867' ' ' ILE . 1.2 tp -57.04 -43.41 81.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.476 174.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.31 87.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.856 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -59.24 -46.11 89.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . 0.464 HG21 ' HG ' ' A' ' 825' ' ' LEU . 6.2 m -64.97 -44.42 89.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.011 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.53 83.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.546 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -63.17 -43.94 96.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.693 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -42.99 99.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.327 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.484 ' HB3' ' SG ' ' A' ' 860' ' ' CYS . 7.3 mt -66.64 -52.56 43.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.508 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 860' ' ' CYS . 19.6 ptmt -57.84 -40.64 80.57 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -69.97 -47.4 46.79 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.689 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.551 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 3.5 p -69.31 -31.95 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.903 0.352 . . . . 0.0 111.267 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.499 ' HD2' ' HB3' ' A' ' 853' ' ' LEU . 5.3 m-85 -68.24 -44.2 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . 0.599 ' HB2' ' HD2' ' A' ' 857' ' ' LYS . . . -60.92 -33.65 73.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.444 175.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -38.08 68.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.946 178.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.594 HD22 ' HB3' ' A' ' 810' ' ' TYR . 67.5 mt -79.94 -5.77 56.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.656 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 81.02 16.01 0.57 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.853 174.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.499 ' HB3' ' HD2' ' A' ' 848' ' ' PHE . 0.3 OUTLIER -87.57 72.91 9.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.328 175.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.428 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.1 OUTLIER -49.62 -56.38 17.17 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.722 -175.309 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.428 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 50.3 Cg_exo -55.11 -35.53 90.79 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.162 1.908 . . . . 0.0 112.409 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . 0.402 ' HA3' ' CD2' ' A' ' 848' ' ' PHE . . . -66.58 -41.35 94.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.989 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . 0.599 ' HD2' ' HB2' ' A' ' 849' ' ' ALA . 13.6 tttp -61.78 -42.57 99.16 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -61.94 -36.11 80.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.563 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -44.51 96.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.16 176.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.514 ' HB2' ' HB3' ' A' ' 845' ' ' LYS . 13.9 m -70.51 -26.68 63.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.261 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.39 -53.66 48.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.253 0.549 . . . . 0.0 109.888 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . 0.622 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 58.0 m -64.8 -30.65 71.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.607 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 878' ' ' TYR . 0.0 OUTLIER -60.04 -53.33 59.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.818 176.34 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 867' ' ' ILE . 0.4 OUTLIER -61.81 -33.55 74.32 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.941 0.4 . . . . 0.0 110.264 179.762 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . 0.539 ' N ' ' HG3' ' A' ' 864' ' ' GLU . 20.9 t60 -66.47 -42.27 87.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.226 176.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . 0.455 HD22 ' HA3' ' A' ' 874' ' ' GLY . 22.7 mt -65.6 -41.41 92.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.769 0.318 . . . . 0.0 110.519 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.628 ' HA ' HD11 ' A' ' 875' ' ' ILE . 20.0 mt -62.04 -43.89 98.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 110.175 176.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -28.65 68.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.379 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.75 2.86 56.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.623 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 61.27 29.6 18.75 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.512 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.95 72.6 8.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.148 -179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.703 ' HA ' HD12 ' A' ' 875' ' ' ILE . 16.2 t -54.26 -48.78 93.47 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.468 -177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.2 Cg_endo -55.63 -40.38 85.67 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.055 1.837 . . . . 0.0 112.193 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . 0.455 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -66.94 -42.5 92.71 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.897 176.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 872' ' ' VAL . 55.7 mt -57.12 -52.05 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 CA-C-O 120.779 0.323 . . . . 0.0 110.461 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.57 -50.05 68.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.6 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -58.44 -49.12 78.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.296 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.622 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.1 OUTLIER -67.33 -32.4 73.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.302 -176.43 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 875' ' ' ILE . 69.2 mt -65.12 -40.19 88.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.586 176.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -31.93 72.99 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.056 0.455 . . . . 0.0 110.54 176.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.28 -36.48 74.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.216 0.531 . . . . 0.0 110.136 176.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 8.0 mt -68.13 -33.65 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.219 0.533 . . . . 0.0 109.876 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -45.57 65.83 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.55 -176.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.1 p -62.79 -37.28 86.07 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.75 177.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . 0.421 ' HD1' ' HA ' ' A' ' 885' ' ' TYR . 0.1 OUTLIER -62.48 -58.38 7.8 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.926 178.094 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.446 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.4 t -64.2 -34.49 69.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.856 -176.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -56.11 -49.51 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.48 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.3 m -81.39 -13.58 58.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.649 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.71 -35.48 22.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.51 0.195 . . . . 0.0 111.322 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 95.6 mt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.009 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . 0.822 ' HA ' HD23 ' A' ' 805' ' ' LEU . 1.9 t-20 . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.515 0.198 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . 0.47 ' O ' ' HD2' ' A' ' 806' ' ' HIS . . . -60.88 -51.13 70.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.612 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -45.73 93.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.304 -179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -67.23 -39.52 86.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.064 -174.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 0.1 OUTLIER -81.82 -23.89 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.284 -0.566 . . . . 0.0 111.164 -178.309 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -75.83 -37.31 59.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.646 0.26 . . . . 0.0 110.934 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.4 p -68.41 -24.41 64.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.988 0.423 . . . . 0.0 110.796 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 99.13 16.83 29.07 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.168 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.432 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 1.9 m-30 -95.91 3.59 53.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.921 0.391 . . . . 0.0 110.897 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.58 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 2.7 t80 -61.3 -42.4 98.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.697 176.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . 0.591 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -59.45 -43.24 93.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.992 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -43.0 83.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.183 0.516 . . . . 0.0 110.359 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.824 ' HE1' HG22 ' A' ' 886' ' ' VAL . 1.4 t80 -62.0 -43.78 98.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.327 -177.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 24.8 m -80.26 -22.65 11.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.708 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . 0.591 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 2.8 t0 -84.94 -44.85 12.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.271 0.558 . . . . 0.0 111.608 -176.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 54.5 m -88.22 -56.78 3.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.712 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.712 HG11 HG21 ' A' ' 886' ' ' VAL . 22.1 t -56.99 -57.17 26.36 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -166.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.645 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 44.0 Cg_exo -57.01 -32.33 92.78 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.191 1.927 . . . . 0.0 113.293 -176.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -74.86 -39.62 61.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.077 0.465 . . . . 0.0 109.896 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -37.95 78.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.859 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 818' ' ' VAL . 6.3 m -71.52 -32.16 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.421 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -62.46 -44.94 95.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.079 0.466 . . . . 0.0 109.786 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -60.38 -45.82 92.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.246 175.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.7 mt -55.49 -47.46 76.13 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.739 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -46.87 86.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.323 0.582 . . . . 0.0 111.075 177.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 86.2 m -65.61 -45.1 84.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.472 -174.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.427 ' HG3' ' HB3' ' A' ' 833' ' ' ASP . 0.0 OUTLIER -77.73 -24.24 49.15 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.416 -178.242 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.6 91.53 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.98 95.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.926 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -78.92 -11.19 59.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.05 179.028 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 65.12 36.27 7.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.427 ' HB3' ' HG3' ' A' ' 828' ' ' GLU . 10.2 t0 -81.47 74.27 8.47 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.504 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 70.7 m-85 -58.72 -32.18 68.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.231 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.38 94.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.252 0.548 . . . . 0.0 109.772 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.97 58.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.828 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.4 OUTLIER -57.54 -49.83 75.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.242 177.329 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 842' ' ' HIS . . . -62.94 -40.93 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.94 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -64.18 -45.43 88.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.395 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.2 m -67.87 -42.98 80.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.205 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.0 86.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 0.0 110.643 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 838' ' ' ALA . 7.4 t60 -60.45 -47.18 87.23 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.199 175.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 843' ' ' ARG . 0.5 OUTLIER -63.07 -42.1 99.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.641 178.632 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.488 ' HB3' ' SG ' ' A' ' 860' ' ' CYS . 5.3 mt -64.51 -41.56 96.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.671 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -40.05 92.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.081 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.85 -43.82 81.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.802 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.537 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 9.1 p -73.48 -35.99 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.788 0.294 . . . . 0.0 111.405 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -67.38 -40.56 85.71 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -63.35 -33.99 76.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.489 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 8.5 tpt -64.35 -45.52 87.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.536 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 11.0 mt -71.86 -12.75 61.43 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.554 177.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.4 m-80 76.93 24.85 0.87 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.327 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.68 86.08 7.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.361 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.733 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 3.3 t -52.01 -57.92 13.22 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.75 -175.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.733 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 32.2 Cg_exo -60.38 -35.23 91.87 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.941 1.761 . . . . 0.0 112.411 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . 0.416 ' HA2' HD12 ' A' ' 859' ' ' LEU . . . -65.89 -47.2 76.9 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.539 177.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -62.52 -39.09 92.42 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -44.18 77.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.674 177.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.416 HD12 ' HA2' ' A' ' 856' ' ' GLY . 13.9 mt -61.88 -48.41 80.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.63 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 55.5 m -62.11 -41.51 98.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.014 -178.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.92 -47.35 86.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.178 0.513 . . . . 0.0 110.295 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . 0.43 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 8.5 m -64.97 -36.06 83.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.796 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.814 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -59.46 -53.66 55.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . 0.692 ' HA ' HD12 ' A' ' 867' ' ' ILE . 7.1 pt-20 -65.09 -32.34 74.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.54 -178.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.21 -43.56 97.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.79 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 862' ' ' THR . 78.0 mt -64.67 -31.46 72.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.401 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 864' ' ' GLU . 15.8 mt -74.05 -42.29 52.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.338 0.59 . . . . 0.0 109.549 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.514 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -61.4 -35.19 76.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.545 177.473 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.514 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 11.7 mm-40 -89.58 2.91 54.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.721 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.89 43.27 30.22 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.083 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -85.94 72.82 10.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.655 ' HA ' HD12 ' A' ' 875' ' ' ILE . 2.4 t -48.01 -57.03 11.29 Favored Pre-proline 0 N--CA 1.467 0.378 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -173.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 13.0 Cg_endo -56.47 -40.07 87.02 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.065 1.843 . . . . 0.0 112.001 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.55 -35.47 86.57 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.106 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' A' ' 872' ' ' VAL . 61.5 mt -60.19 -55.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 872' ' ' VAL . 0.0 OUTLIER -59.59 -41.37 90.11 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.377 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -59.3 -48.96 79.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.061 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.814 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.5 OUTLIER -69.76 -33.48 72.48 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.406 -177.702 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.55 -41.17 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 9.6 m -65.43 -32.12 73.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.839 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 885' ' ' TYR . 0.4 OUTLIER -68.58 -38.65 80.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.816 -179.725 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 60.9 mt -70.71 -34.07 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.232 0.539 . . . . 0.0 109.87 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.86 -45.34 64.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.607 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 6.8 p -62.83 -39.78 95.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.042 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 0.5 OUTLIER -60.74 -57.43 12.7 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.223 1.011 . . . . 0.0 109.889 -179.663 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.824 HG22 ' HE1' ' A' ' 814' ' ' PHE . 1.6 t -60.26 -36.45 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 CA-C-N 113.515 -1.675 . . . . 0.0 110.717 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -47.7 83.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.442 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.41 69.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 111.148 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.31 -16.24 38.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.074 -177.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 13.4 mt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.189 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -74.48 -38.94 62.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.31 0.576 . . . . 0.0 110.285 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.72 -46.87 83.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.24 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.712 HD11 ' HB2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -66.99 -28.96 68.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.472 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.571 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 7.3 t-160 -66.88 -39.66 87.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.541 175.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -81.4 -36.58 29.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.88 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . 0.447 ' OG ' ' HA ' ' A' ' 805' ' ' LEU . 29.3 p -65.08 -25.88 67.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.064 0.459 . . . . 0.0 111.009 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 98.0 7.52 56.25 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.615 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.442 ' HB3' HD22 ' A' ' 851' ' ' LEU . 4.4 m-30 -84.04 -9.5 58.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 0.0 110.281 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.571 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 19.5 t80 -55.8 -39.48 71.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.903 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.15 -36.58 77.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.195 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' A' ' 813' ' ' LEU . 3.5 mt -77.86 -38.74 45.34 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.712 ' HB2' HD11 ' A' ' 805' ' ' LEU . 30.8 t80 -56.86 -49.3 75.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.403 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 22.0 m -78.54 -3.99 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.744 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -97.34 -49.74 4.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.6 p -76.18 -60.57 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.736 -174.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.802 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 21.3 t -58.16 -60.62 9.55 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -170.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.802 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 54.4 Cg_exo -53.11 -48.82 20.05 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.333 2.022 . . . . 0.0 112.969 -177.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.536 ' HA ' ' HD2' ' A' ' 823' ' ' LYS . 32.1 t70 -64.1 -45.49 88.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.991 -178.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . 0.559 ' HA ' ' HB2' ' A' ' 824' ' ' ARG . 3.9 m-20 -72.1 -19.94 61.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.871 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 3.0 t -68.43 -47.75 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 173.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . 0.536 ' HD2' ' HA ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -63.52 -37.75 88.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.21 0.528 . . . . 0.0 109.709 174.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.706 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 13.5 mtm105 -61.03 -48.94 79.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.724 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.404 ' HG ' HG21 ' A' ' 840' ' ' THR . 7.0 mt -51.34 -47.02 62.85 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.387 0.429 . . . . 0.0 110.574 176.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.469 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 13.6 m-85 -51.97 -45.71 64.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.376 0.608 . . . . 0.0 110.044 174.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 16.3 m -68.55 -46.12 70.34 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.429 -176.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.706 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 0.0 OUTLIER -70.82 -33.97 71.23 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.596 -179.328 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.77 90.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.705 0.288 . . . . 0.0 110.636 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.89 71.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.631 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 23.0 m -84.52 -13.33 52.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.693 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 63.48 31.63 14.79 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.554 0.692 . . . . 0.0 110.403 -178.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -87.43 75.88 9.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.338 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.581 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 44.8 m-85 -63.09 -24.47 67.92 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.87 -177.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.57 97.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.295 0.569 . . . . 0.0 109.632 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -73.7 -37.99 65.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.637 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 828' ' ' GLU . 1.2 tp -55.67 -47.51 76.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.533 175.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.97 97.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.007 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -63.2 -43.61 97.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . 0.404 HG21 ' HG ' ' A' ' 825' ' ' LEU . 96.5 m -64.69 -45.71 85.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -59.67 -40.08 86.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.823 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -65.91 -42.89 89.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.725 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -62.75 -45.33 93.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.599 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 818' ' ' VAL . 8.5 mt -69.14 -39.97 78.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.443 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -56.3 -45.15 80.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.304 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.85 -38.08 84.69 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.058 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.577 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 4.8 t -61.99 -51.26 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.625 0.25 . . . . 0.0 110.803 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -59.82 -47.63 84.94 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.89 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 111.384 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -35.72 75.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.702 ' HB2' ' HG ' ' A' ' 853' ' ' LEU . 9.1 mt -81.4 -9.67 59.68 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 79.49 21.65 0.59 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.291 0.995 . . . . 0.0 109.758 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.702 ' HG ' ' HB2' ' A' ' 851' ' ' LEU . 13.8 mt -83.84 70.02 10.33 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.978 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.656 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 46.4 t -53.26 -53.01 60.8 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.838 -174.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.656 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 54.0 Cg_exo -54.33 -37.92 88.79 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.057 1.838 . . . . 0.0 112.313 177.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.26 -44.61 85.42 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.764 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -38.59 89.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -44.25 81.13 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.305 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.784 ' HB3' ' HE1' ' A' ' 878' ' ' TYR . 13.2 mt -60.18 -46.14 90.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.359 176.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 83.2 m -64.0 -30.84 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.323 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -60.64 -50.34 73.91 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -39.21 85.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.981 176.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.778 ' HG ' ' CD2' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -62.13 -49.03 77.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.994 179.518 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.95 -38.79 70.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.384 0.611 . . . . 0.0 110.062 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . 0.494 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 37.6 t60 -67.3 -42.27 83.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.667 176.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 863' ' ' LEU . 19.9 mt -62.36 -36.03 80.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.744 0.307 . . . . 0.0 110.662 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.584 HD11 HD13 ' A' ' 863' ' ' LEU . 17.7 mt -72.09 -38.31 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.312 178.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.608 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.79 -28.32 67.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.73 178.6 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.608 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 1.5 mm-40 -98.0 -0.82 43.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.63 -178.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? 54.72 46.68 24.13 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.28 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -92.32 83.8 5.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.775 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.763 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 21.8 t -51.5 -56.37 21.31 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.479 -176.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.763 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.1 Cg_exo -54.85 -41.83 74.61 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.46 2.107 . . . . 0.0 112.377 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . 0.52 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -62.41 -39.58 97.96 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.077 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.602 ' O ' HG13 ' A' ' 879' ' ' ILE . 61.6 mt -66.17 -53.53 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.385 0.136 . . . . 0.0 111.221 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 1.5 pt-20 -63.11 -42.22 99.52 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.752 0.311 . . . . 0.0 110.986 -176.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -40.25 84.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.807 176.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.784 ' HE1' ' HB3' ' A' ' 859' ' ' LEU . 51.1 t80 -60.54 -43.9 96.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.969 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.602 HG13 ' O ' ' A' ' 875' ' ' ILE . 6.8 mt -61.15 -41.06 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.903 -178.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -35.4 80.59 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.579 176.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.95 -33.12 51.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.717 -176.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . 0.498 HG22 ' HA ' ' A' ' 879' ' ' ILE . 12.6 tt -74.81 -31.39 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.814 0.34 . . . . 0.0 110.208 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.56 -44.52 74.29 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.1 p -66.94 -35.39 79.88 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.719 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . 0.431 ' OH ' ' HB2' ' A' ' 855' ' ' PRO . 24.0 t80 -57.52 -58.57 7.72 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.041 0.924 . . . . 0.0 110.731 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.628 HG23 ' CZ ' ' A' ' 814' ' ' PHE . 7.3 p -67.81 -31.29 51.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 114.11 -1.405 . . . . 0.0 110.765 -174.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 890' ' ' LEU . 12.5 mtmt -72.05 -28.85 63.62 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.2 p -84.36 -25.17 29.35 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.328 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.3 -25.43 42.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.058 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 887' ' ' LYS . 47.7 mt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.299 -0.857 . . . . 0.0 110.925 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -71.5 -51.4 23.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.186 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -67.26 -37.7 83.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.67 0.271 . . . . 0.0 110.625 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 1.6 tp -63.06 -38.59 91.78 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.083 0.468 . . . . 0.0 109.97 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.603 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 3.0 t-160 -68.43 -53.51 23.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.731 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.06 95.78 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 21.5 m -75.84 3.52 9.85 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.521 -178.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 79.63 -6.68 57.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.119 -0.563 . . . . 0.0 113.766 172.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.437 ' HD2' HD23 ' A' ' 851' ' ' LEU . 0.3 OUTLIER -78.53 1.17 23.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.29 0.566 . . . . 0.0 110.923 -177.156 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.603 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 8.8 t80 -59.96 -27.34 66.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.687 170.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.88 80.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.521 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -33.84 71.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.468 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.506 ' CZ ' HG23 ' A' ' 886' ' ' VAL . 2.2 t80 -58.57 -43.85 89.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.819 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 7.0 m -98.0 12.6 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.046 0.451 . . . . 0.0 111.023 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -90.47 -61.69 1.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.939 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 821' ' ' ASP . 0.3 OUTLIER -112.57 -30.87 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.399 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.78 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 80.8 t -53.11 -58.82 10.86 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -172.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.78 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 17.1 Cg_exo -67.4 -41.84 8.33 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 121.898 1.732 . . . . 0.0 112.251 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.12 -43.03 93.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.101 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . 0.462 ' HA ' ' HB2' ' A' ' 824' ' ' ARG . 1.6 m-20 -76.83 -28.08 55.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.2 t -65.12 -38.19 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 173.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -67.68 -36.04 79.94 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.705 174.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.462 ' HB2' ' HA ' ' A' ' 821' ' ' ASP . 26.8 mtm-85 -61.12 -45.93 92.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.988 175.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.818 HD23 ' HG ' ' A' ' 837' ' ' LEU . 0.5 OUTLIER -54.2 -44.97 72.06 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.279 175.739 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -62.3 -40.51 96.52 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.1 m -68.38 -41.24 80.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.271 0.558 . . . . 0.0 110.259 -175.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -79.69 -24.67 41.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.217 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.45 75.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.917 0.389 . . . . 0.0 110.038 174.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.25 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.311 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -18.49 48.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.114 177.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 11.1 m 67.91 31.72 5.53 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.917 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -83.72 74.73 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.229 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.785 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 28.3 m-85 -69.25 -15.18 63.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.474 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -69.6 -43.4 72.86 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -71.96 -36.5 69.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.528 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.818 ' HG ' HD23 ' A' ' 825' ' ' LEU . 0.3 OUTLIER -57.66 -46.16 84.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.475 175.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.3 95.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.798 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.01 -45.27 93.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 111.165 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.2 m -64.93 -42.48 94.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.948 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.18 -31.76 73.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.613 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -61.8 -46.3 90.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.054 175.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -63.42 -42.18 98.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.402 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.407 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.4 OUTLIER -63.69 -44.19 94.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.75 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -39.23 80.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -65.36 -46.98 84.06 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.766 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 850' ' ' MET . 8.4 m -70.81 -37.42 68.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.878 0.339 . . . . 0.0 111.571 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.33 -40.4 81.64 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -67.1 -32.48 73.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.282 174.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . 0.473 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 6.7 ttt -56.35 -51.01 69.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.796 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.437 HD23 ' HD2' ' A' ' 810' ' ' TYR . 0.1 OUTLIER -85.38 -7.79 58.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.65 178.014 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.26 37.08 11.37 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.054 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.458 HD13 ' HE2' ' A' ' 885' ' ' TYR . 3.8 mt -76.67 82.69 3.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.274 176.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.773 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 2.4 t -44.33 -61.71 1.94 Allowed Pre-proline 0 N--CA 1.469 0.51 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -170.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.773 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 47.8 Cg_exo -56.36 -39.73 89.35 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.811 1.674 . . . . 0.0 112.282 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -71.73 -40.1 59.0 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.203 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -32.94 73.32 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -68.48 -38.6 81.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.029 175.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.46 -42.85 97.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.185 175.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 58.8 m -67.32 -39.25 85.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -55.33 -53.43 56.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.416 0.627 . . . . 0.0 110.023 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -31.04 71.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.128 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.2 OUTLIER -61.54 -52.02 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.6 0.238 . . . . 0.0 110.446 177.309 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.65 -35.7 76.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.054 0.454 . . . . 0.0 110.362 178.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . 0.518 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 12.5 t60 -67.59 -36.1 80.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.848 176.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . 0.542 HD22 ' HA3' ' A' ' 874' ' ' GLY . 12.9 mt -75.26 -33.35 61.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.646 0.26 . . . . 0.0 110.538 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.493 ' HA ' HD11 ' A' ' 875' ' ' ILE . 71.3 mt -71.17 -37.52 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.077 0.465 . . . . 0.0 110.067 175.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -67.63 -35.65 79.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.281 178.077 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 9.5 mm-40 -85.79 -3.51 58.92 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt 54.89 55.11 8.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.017 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -113.1 89.11 3.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.227 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.644 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 26.4 t -55.08 -52.68 69.12 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -175.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.644 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 77.7 Cg_exo -52.1 -43.74 50.72 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.219 1.946 . . . . 0.0 112.61 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . 0.542 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -65.93 -44.99 90.72 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.68 -0.772 . . . . 0.0 111.601 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.531 ' O ' HG13 ' A' ' 879' ' ' ILE . 60.3 mt -57.48 -49.93 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 110.454 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.51 -54.25 43.52 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.059 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -41.3 86.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.201 -177.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -73.35 -32.83 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.736 -175.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 875' ' ' ILE . 75.2 mt -64.29 -39.86 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.798 174.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -29.28 66.78 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.418 177.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.65 -35.96 73.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.536 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.51 -33.49 57.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.171 0.51 . . . . 0.0 110.017 173.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . 0.432 ' O ' HG12 ' A' ' 886' ' ' VAL . 3.5 t70 -71.77 -42.06 67.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.613 0.72 . . . . 0.0 109.508 -178.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.9 p -70.26 -29.95 66.86 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.984 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . 0.458 ' HE2' HD13 ' A' ' 853' ' ' LEU . 17.4 t80 -59.28 -57.55 12.54 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.913 0.863 . . . . 0.0 110.316 176.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.506 HG23 ' CZ ' ' A' ' 814' ' ' PHE . 4.2 p -64.69 -31.35 53.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.669 -177.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -26.97 61.12 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.642 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 2.5 p -89.73 -24.06 21.64 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . 0.431 ' HB3' ' HE2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -83.06 -21.5 33.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.351 177.079 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.51 ' HA ' ' OH ' ' A' ' 811' ' ' TYR . 14.6 mt . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.134 171.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . 0.658 ' HA ' HD23 ' A' ' 805' ' ' LEU . 12.8 t30 . . . . . 0 N--CA 1.465 0.29 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.2 84.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.729 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . 0.408 HE21 ' HB3' ' A' ' 804' ' ' GLN . 0.2 OUTLIER -64.27 -46.62 82.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.374 178.111 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -65.94 -31.15 71.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.241 179.676 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.79 -50.71 67.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.428 175.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.22 68.97 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.375 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 51.0 m -67.4 -18.01 64.95 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 85.76 -14.07 53.65 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.931 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.97 25.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.966 0.412 . . . . 0.0 111.406 -176.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -70.34 -32.51 70.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.174 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.93 95.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.171 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.75 -41.89 91.59 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.281 176.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.586 ' CZ ' HG23 ' A' ' 886' ' ' VAL . 25.9 t80 -56.53 -52.91 62.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.3 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . 0.629 HG12 HD22 ' A' ' 890' ' ' LEU . 34.8 m -79.16 -2.29 5.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.757 0.313 . . . . 0.0 111.601 -177.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -95.02 -64.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.274 -177.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.79 -29.68 19.58 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -171.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.655 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 49.7 t -60.06 -54.94 50.36 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.655 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 45.2 Cg_exo -57.94 -40.49 77.53 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.986 1.79 . . . . 0.0 112.489 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -73.31 -43.65 60.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.23 -176.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -32.13 72.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.747 0.308 . . . . 0.0 110.471 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -39.77 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 174.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . 0.479 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.0 OUTLIER -68.34 -35.36 77.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.065 175.849 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -60.8 -46.47 90.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.966 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.37 -44.56 72.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.265 175.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.479 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 11.9 m-85 -57.6 -45.33 85.44 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.365 0.602 . . . . 0.0 110.25 175.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 8.0 m -65.28 -45.53 84.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.967 -176.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.23 -32.25 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.253 -176.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.92 91.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 110.648 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.12 -23.08 67.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.797 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.6 2.0 27.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.325 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.3 m 59.5 38.27 22.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.324 0.583 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -85.72 71.31 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.633 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 65.6 m-85 -65.06 -24.11 67.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.039 -175.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.45 94.78 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.198 0.523 . . . . 0.0 109.675 173.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -74.26 -33.33 63.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.426 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.633 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 1.0 OUTLIER -61.3 -38.83 88.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.411 175.451 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.45 96.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.058 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -62.36 -47.47 84.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.873 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -35.54 78.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.666 0.27 . . . . 0.0 111.217 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.69 96.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.665 0.269 . . . . 0.0 110.483 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.28 -43.93 84.98 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.453 ' O ' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -54.42 -51.22 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.921 177.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 844' ' ' LEU . 1.3 mt -72.46 -41.58 65.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.035 -176.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -60.78 -40.47 92.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.26 -48.46 58.49 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.86 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.539 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 16.8 m -68.34 -38.77 79.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 CA-C-N 117.146 0.473 . . . . 0.0 111.502 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -64.76 -43.03 94.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.911 -0.404 . . . . 0.0 109.911 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.71 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.102 0.477 . . . . 0.0 110.191 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . 0.403 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -63.22 -41.59 99.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.776 177.303 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 4.9 mt -80.05 -10.15 59.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.801 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 77.13 23.59 0.91 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.029 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.505 HD13 ' HE2' ' A' ' 885' ' ' TYR . 12.0 mt -81.42 84.62 6.63 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.697 178.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.759 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 18.8 t -55.77 -58.56 15.19 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.818 -174.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.759 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 35.9 Cg_exo -60.19 -39.81 65.38 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.116 1.877 . . . . 0.0 112.03 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . 0.484 ' HA2' HD12 ' A' ' 859' ' ' LEU . . . -64.79 -45.04 93.86 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.148 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . 0.532 ' HE3' ' HA ' ' A' ' 854' ' ' VAL . 0.0 OUTLIER -62.69 -35.62 80.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.852 0.358 . . . . 0.0 110.075 177.828 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -37.08 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.554 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.484 HD12 ' HA2' ' A' ' 856' ' ' GLY . 43.7 mt -62.73 -45.91 90.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.104 176.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 20.4 m -64.53 -36.32 83.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 178.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.87 -51.47 69.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.194 0.521 . . . . 0.0 110.791 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . 0.534 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.3 m -68.99 -28.77 66.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.805 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -62.06 -49.14 77.17 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 173.197 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -43.98 63.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.438 174.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . 0.693 ' O ' ' HG2' ' A' ' 869' ' ' GLU . 20.3 t60 -62.13 -48.18 81.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.034 177.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.02 -28.11 69.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.772 0.32 . . . . 0.0 111.122 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.537 ' HA ' HD11 ' A' ' 875' ' ' ILE . 38.7 mt -76.2 -35.88 29.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -66.7 -34.28 77.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.314 176.726 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.693 ' HG2' ' O ' ' A' ' 865' ' ' HIS . 30.9 mm-40 -83.23 -8.29 59.49 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.812 0.339 . . . . 0.0 110.488 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt 61.59 40.48 13.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -96.48 81.32 3.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.966 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' A' ' 875' ' ' ILE . 2.2 t -49.55 -52.59 48.96 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.616 -177.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 10.9 Cg_endo -54.76 -42.96 63.7 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.348 2.032 . . . . 0.0 112.592 178.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.63 90.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.869 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 867' ' ' ILE . 56.5 mt -56.99 -49.96 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.25 -45.95 79.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.062 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.47 -40.89 92.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.845 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.624 ' HA ' ' HB2' ' A' ' 881' ' ' ASP . 1.5 m-85 -75.68 -32.03 59.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.812 -176.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 875' ' ' ILE . 44.5 mt -61.21 -43.04 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 172.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 51.5 m -67.02 -28.67 68.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.682 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . 0.624 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -69.45 -36.89 77.04 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.278 0.561 . . . . 0.0 110.363 176.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 34.5 mt -69.47 -32.9 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.286 0.565 . . . . 0.0 109.789 173.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 10.4 t0 -72.15 -42.77 65.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.35 -178.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.0 p -65.4 -38.28 89.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.102 178.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . 0.505 ' HE2' HD13 ' A' ' 853' ' ' LEU . 28.8 t80 -49.34 -57.74 6.34 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.961 0.886 . . . . 0.0 110.359 172.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.599 HG22 HD21 ' A' ' 890' ' ' LEU . 1.4 p -68.56 -30.45 47.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.355 -1.293 . . . . 0.0 111.393 -176.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 7.4 mmtm -56.21 -48.45 76.41 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.561 0.219 . . . . 0.0 110.966 174.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -25.65 48.04 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -178.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -46.28 67.61 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.504 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.629 HD22 HG12 ' A' ' 815' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.499 176.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . 0.631 ' HB3' ' HG ' ' A' ' 889' ' ' LEU . 2.7 p-10 . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.905 0.384 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -64.25 -48.76 74.53 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.887 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.54 -44.58 95.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.525 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -59.13 -49.99 75.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.225 -177.251 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 0.3 OUTLIER -80.37 -15.91 55.74 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.126 -177.298 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -85.88 -20.14 29.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.61 0.243 . . . . 0.0 111.4 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 2.1 p -88.8 -1.11 57.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.995 0.426 . . . . 0.0 110.52 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 80.97 31.05 36.35 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.265 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -107.45 5.68 27.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 0.0 110.681 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.437 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.5 t80 -66.94 -35.29 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.262 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.92 -31.82 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.177 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.62 -36.16 22.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.858 0.361 . . . . 0.0 110.101 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.749 ' HB2' HD11 ' A' ' 805' ' ' LEU . 49.5 t80 -53.61 -48.59 69.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.561 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . 0.411 HG12 HD21 ' A' ' 890' ' ' LEU . 28.7 m -99.43 24.76 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.214 0.531 . . . . 0.0 111.762 -176.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -130.03 -65.73 0.81 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.211 0.529 . . . . 0.0 110.841 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.9 m -83.07 -34.2 26.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.057 -174.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.709 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 88.8 t -65.31 -57.13 15.91 Favored Pre-proline 0 CA--C 1.534 0.346 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -173.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.709 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 50.4 Cg_exo -55.24 -38.82 93.42 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.214 1.943 . . . . 0.0 112.989 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -77.84 -36.89 49.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.531 -176.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.99 -31.48 72.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.131 0.491 . . . . 0.0 109.7 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.485 HG22 HD11 ' A' ' 844' ' ' LEU . 53.0 t -66.59 -42.0 89.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.939 172.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . 0.539 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 18.0 mtmm -62.18 -37.86 86.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.43 176.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.671 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.3 mtp85 -60.42 -42.99 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.08 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.401 ' HG ' ' CG2' ' A' ' 840' ' ' THR . 8.6 mt -54.47 -44.58 72.71 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 110.28 174.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.539 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 19.7 m-85 -57.68 -42.88 84.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.343 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 3.8 m -64.32 -45.72 86.67 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.261 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 20.1 mm-40 -67.06 -38.86 86.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.523 -178.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.0 93.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.26 96.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.019 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.9 4.09 35.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.546 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.67 25.0 14.99 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.135 0.493 . . . . 0.0 111.246 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -88.74 70.13 8.73 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.646 ' HA ' ' HB3' ' A' ' 837' ' ' LEU . 16.1 m-85 -63.03 -23.12 67.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.146 -173.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.7 -46.11 91.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.333 0.587 . . . . 0.0 109.724 174.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -79.82 -32.93 40.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.651 -177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.646 ' HB3' ' HA ' ' A' ' 834' ' ' PHE . 11.4 tp -58.81 -46.97 86.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.196 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . 0.736 ' HA ' HD13 ' A' ' 867' ' ' ILE . . . -63.87 -42.41 97.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.696 177.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -61.47 -41.61 97.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.469 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . 0.401 ' CG2' ' HG ' ' A' ' 825' ' ' LEU . 5.1 m -68.5 -37.59 80.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.696 0.284 . . . . 0.0 110.937 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.88 82.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.932 0.396 . . . . 0.0 110.4 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . 0.55 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 2.9 m170 -59.04 -46.44 88.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.849 175.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 847' ' ' VAL . 5.2 ttt85 -61.31 -44.79 96.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.019 178.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.485 HD11 HG22 ' A' ' 822' ' ' VAL . 0.3 OUTLIER -64.27 -44.33 92.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.518 -176.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -63.25 -35.95 82.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.579 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 845' ' ' LYS . . . -67.36 -50.83 41.63 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.579 178.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.62 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 7.3 m -63.86 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.766 0.283 . . . . 0.0 111.127 -177.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.456 ' HA ' HD12 ' A' ' 851' ' ' LEU . 4.9 m-30 -65.53 -37.58 87.14 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.31 -34.92 77.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.822 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . 0.512 ' HG3' ' HA ' ' A' ' 847' ' ' VAL . 0.9 OUTLIER -61.1 -52.05 66.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.577 177.145 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -77.92 -5.36 50.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.973 -178.391 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.18 33.32 2.04 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.723 0.773 . . . . 0.0 110.233 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 4.3 mt -79.13 74.64 5.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.79 -1.096 . . . . 0.0 109.266 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.826 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 39.3 t -50.59 -60.57 5.15 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.826 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 33.3 Cg_exo -57.94 -39.82 83.13 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.821 1.68 . . . . 0.0 112.262 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.42 -46.53 69.43 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.574 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -62.21 -37.52 85.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -61.28 -40.93 95.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.79 -42.66 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.021 0.438 . . . . 0.0 110.303 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 21.6 m -66.9 -28.33 68.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.632 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.31 -48.52 67.35 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.261 177.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . 0.539 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -65.47 -33.69 76.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.427 177.599 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -43.18 99.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 175.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 867' ' ' ILE . 0.1 OUTLIER -56.15 -44.67 79.5 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.225 0.536 . . . . 0.0 110.496 176.624 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . 0.482 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 59.1 t60 -68.18 -29.74 68.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.693 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 4.4 mt -69.74 -35.52 75.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.8 0.333 . . . . 0.0 110.379 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.736 HD13 ' HA ' ' A' ' 838' ' ' ALA . 24.8 mt -69.34 -41.37 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.393 176.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.484 ' HE ' ' HB2' ' A' ' 868' ' ' ARG . 0.0 OUTLIER -64.89 -32.66 74.47 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.059 0.457 . . . . 0.0 110.3 177.799 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.3 OUTLIER -81.23 -13.8 58.15 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 176.05 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . 0.45 ' HD2' ' O ' ' A' ' 867' ' ' ILE . 0.1 OUTLIER 58.67 38.16 25.09 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.296 -177.608 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.86 89.24 7.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.009 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.521 ' O ' ' HG2' ' A' ' 876' ' ' GLU . 2.1 t -53.19 -56.23 26.15 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.899 -172.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 14.7 Cg_endo -56.65 -36.72 98.39 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.396 2.064 . . . . 0.0 112.428 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -71.88 -40.46 57.61 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.7 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.611 HG21 HD21 ' A' ' 837' ' ' LEU . 55.2 mt -58.75 -56.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.482 0.182 . . . . 0.0 110.515 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 879' ' ' ILE . 7.9 pt-20 -62.35 -39.66 93.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.942 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -42.62 90.88 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.825 0.345 . . . . 0.0 110.646 178.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.539 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 3.7 m-85 -69.01 -32.92 72.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 875' ' ' ILE . 31.1 mt -63.5 -42.17 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.221 176.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -34.7 78.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.422 175.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -34.83 77.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.027 0.441 . . . . 0.0 110.606 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . 0.43 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 57.5 mt -68.63 -33.52 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.289 0.566 . . . . 0.0 110.002 174.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.5 -41.25 66.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.606 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . 0.461 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 6.4 p -71.14 -30.37 66.4 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.111 177.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 62.3 t80 -57.78 -57.32 13.27 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.486 1.136 . . . . 0.0 109.789 174.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.423 HG22 ' CE1' ' A' ' 814' ' ' PHE . 1.0 OUTLIER -63.68 -31.8 54.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 113.3 -1.773 . . . . 0.0 110.45 -178.684 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . 0.497 ' HA ' HD12 ' A' ' 890' ' ' LEU . 4.6 mttp -63.04 -43.81 97.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 176.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.24 -23.14 38.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.013 -176.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . 0.631 ' HG ' ' HB3' ' A' ' 802' ' ' ASN . 1.6 mp -77.6 -28.03 51.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.552 177.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 887' ' ' LYS . 15.7 mt . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.811 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . 0.997 ' HA ' HD23 ' A' ' 805' ' ' LEU . 41.1 t30 . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 120.744 0.306 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -54.91 -51.47 65.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . 0.543 ' HG3' ' N ' ' A' ' 805' ' ' LEU . 0.0 OUTLIER -64.47 -42.87 95.66 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.116 -177.534 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.997 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -73.23 -38.65 65.96 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.788 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.563 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 0.0 OUTLIER -82.78 -14.48 54.36 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.789 -178.828 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -80.95 -37.7 28.99 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -26.07 63.89 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.037 0.446 . . . . 0.0 110.644 177.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 105.92 7.96 35.08 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.795 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -88.1 8.57 26.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.298 0.571 . . . . 0.0 110.937 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.552 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 27.1 t80 -63.35 -28.95 70.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.168 177.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -59.93 -44.45 94.33 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.638 177.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 813' ' ' LEU . 7.2 mt -67.98 -35.54 78.53 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.105 0.478 . . . . 0.0 110.33 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.506 ' CZ ' HG23 ' A' ' 886' ' ' VAL . 4.1 t80 -60.91 -37.51 82.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.972 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 32.9 m -100.51 15.66 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.875 0.369 . . . . 0.0 111.084 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . 0.539 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 0.4 OUTLIER -106.22 -79.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.859 0.361 . . . . 0.0 111.197 -178.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.0 -18.62 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.916 -174.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.668 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 84.9 t -63.0 -53.98 50.51 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -175.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.668 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 48.3 Cg_exo -57.13 -39.53 90.05 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.94 1.76 . . . . 0.0 112.076 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 824' ' ' ARG . 4.2 t70 -69.86 -40.67 75.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.862 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -38.26 90.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.378 . . . . 0.0 110.595 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 825' ' ' LEU . 87.9 t -62.23 -43.49 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.079 0.466 . . . . 0.0 109.992 174.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . 0.499 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.5 OUTLIER -65.56 -35.01 79.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.701 176.58 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.5 mmp_? -56.9 -47.66 80.02 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 822' ' ' VAL . 6.2 mt -53.43 -49.7 66.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.481 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.499 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 19.8 m-85 -55.66 -47.53 76.55 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.394 0.616 . . . . 0.0 110.839 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.0 m -67.16 -42.82 83.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.958 -172.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 8.8 mm-40 -79.2 -29.66 42.97 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.017 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.54 -33.28 75.54 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 120.841 0.353 . . . . 0.0 110.396 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.84 87.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.168 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.38 8.86 31.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.65 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.81 36.26 24.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.234 177.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -86.16 71.92 10.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.567 0.699 . . . . 0.0 109.496 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.493 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 77.9 m-85 -63.61 -26.08 68.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.729 -177.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.79 99.94 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.296 0.569 . . . . 0.0 110.037 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -74.23 -35.3 63.85 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.723 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.524 ' HB3' HD12 ' A' ' 867' ' ' ILE . 0.6 OUTLIER -58.61 -42.98 89.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.267 175.67 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.4 94.94 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.657 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -59.71 -44.32 93.75 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.648 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . 0.836 ' HA ' ' HD3' ' A' ' 843' ' ' ARG . 3.7 m -66.51 -41.58 88.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.385 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.8 -31.25 72.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.027 0.441 . . . . 0.0 110.467 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . 0.694 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 36.6 m170 -69.55 -40.78 76.63 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.317 176.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.836 ' HD3' ' HA ' ' A' ' 840' ' ' THR . 8.8 mtp180 -57.86 -51.4 69.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.219 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.46 ' HA ' HG22 ' A' ' 847' ' ' VAL . 5.8 mt -62.16 -47.91 82.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.602 -175.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.694 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.1 OUTLIER -61.58 -34.5 75.72 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.438 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -70.77 -49.05 31.26 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.619 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.55 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 20.1 m -66.66 -33.65 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.809 0.305 . . . . 0.0 111.069 -178.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.424 ' CD2' ' HA3' ' A' ' 856' ' ' GLY . 6.3 m-85 -68.17 -43.64 77.74 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . 0.503 ' HB2' ' HD3' ' A' ' 857' ' ' LYS . . . -62.36 -34.54 76.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.017 0.437 . . . . 0.0 110.411 175.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 9.7 tpt -64.65 -44.4 90.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.795 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 17.9 mt -74.59 -13.45 60.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.596 177.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.0 OUTLIER 80.89 28.52 0.2 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.56 176.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.78 82.52 7.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.634 177.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.429 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 1.2 t -54.03 -57.2 19.05 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.396 -176.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 19.1 Cg_endo -59.05 -34.98 99.13 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.229 1.952 . . . . 0.0 112.01 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . 0.424 ' HA3' ' CD2' ' A' ' 848' ' ' PHE . . . -66.36 -44.05 91.36 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.846 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . 0.503 ' HD3' ' HB2' ' A' ' 849' ' ' ALA . 0.0 OUTLIER -63.36 -40.22 96.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.549 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . 0.443 ' HA ' ' OE1' ' A' ' 858' ' ' GLN . 1.1 tp-100 -56.22 -44.53 79.62 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.857 177.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.444 HD23 ' CE2' ' A' ' 878' ' ' TYR . 3.8 mt -61.43 -41.41 97.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.682 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 55.5 m -67.48 -31.31 71.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.26 -46.48 76.92 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.887 0.375 . . . . 0.0 110.126 177.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -36.51 83.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.466 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.665 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -59.84 -46.78 88.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.964 175.534 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.33 -43.97 79.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 110.234 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . 0.446 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 4.2 t-160 -59.55 -40.91 88.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.557 176.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . 0.464 HD22 ' HA3' ' A' ' 874' ' ' GLY . 16.8 mt -71.07 -37.83 72.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.96 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' ' 863' ' ' LEU . 10.5 mm -64.57 -45.24 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.281 0.562 . . . . 0.0 109.848 175.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.555 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.02 -32.39 74.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.132 -177.678 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.555 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 31.5 mm-40 -95.64 -2.68 47.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.745 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp 62.87 40.46 9.6 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.355 175.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -94.02 88.5 5.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.874 0.369 . . . . 0.0 110.207 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.51 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 14.6 t -50.56 -52.48 55.35 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -175.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 9.7 Cg_endo -54.24 -45.51 40.47 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.257 1.972 . . . . 0.0 112.437 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . 0.464 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -68.23 -38.8 88.1 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.08 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.474 HG12 HD13 ' A' ' 867' ' ' ILE . 59.8 mt -56.37 -59.55 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 122.256 0.222 . . . . 0.0 110.813 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.97 -36.39 83.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.904 -177.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -61.51 -48.93 78.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.819 0.342 . . . . 0.0 110.708 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.665 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.6 OUTLIER -73.52 -31.75 63.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.484 -176.802 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 875' ' ' ILE . 93.4 mt -59.77 -44.87 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.1 m -67.41 -28.86 68.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.697 177.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . 0.525 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -69.92 -35.79 74.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.044 0.45 . . . . 0.0 110.569 177.768 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 86.3 mt -70.67 -33.12 51.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.236 0.541 . . . . 0.0 109.82 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.14 -41.31 74.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.568 0.699 . . . . 0.0 109.31 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.3 p -69.96 -30.23 67.54 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.112 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -57.17 11.0 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.983 177.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.673 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 4.9 p -62.87 -33.04 58.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.505 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -56.83 -49.23 76.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.007 0.432 . . . . 0.0 111.148 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.99 -15.99 45.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.559 -176.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' A' ' 802' ' ' ASN . 0.1 OUTLIER -81.7 -39.32 24.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.903 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 30.3 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.143 -179.045 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . 0.633 ' HA ' HD23 ' A' ' 805' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 120.66 0.267 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.82 67.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.802 0.334 . . . . 0.0 110.542 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -63.33 -48.23 78.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.372 176.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -68.53 -23.79 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.304 0.573 . . . . 0.0 110.587 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.64 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 8.4 t-160 -73.78 -40.63 63.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.281 174.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.46 78.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.276 -178.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -19.74 61.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.134 0.492 . . . . 0.0 110.447 176.071 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 91.99 7.56 64.13 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.381 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.473 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.4 OUTLIER -91.24 -3.43 56.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.791 0.329 . . . . 0.0 111.277 -175.519 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.64 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 1.1 t80 -63.01 -30.58 71.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.42 . . . . 0.0 110.22 176.199 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -66.57 -25.89 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.728 177.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.53 -38.26 24.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.736 176.575 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.421 ' CZ ' HG22 ' A' ' 886' ' ' VAL . 88.4 t80 -57.87 -49.28 77.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.974 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 29.1 m -80.38 -0.06 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 0.0 111.424 -178.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . 0.541 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 11.0 t0 -96.24 -64.27 1.07 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.411 -176.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.96 -32.01 15.41 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -173.155 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.705 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 90.7 t -59.93 -54.86 51.32 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.719 -173.777 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.705 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.5 Cg_exo -58.75 -32.01 96.17 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.129 1.886 . . . . 0.0 112.626 176.382 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -74.55 -44.64 50.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 110.524 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.76 -35.32 80.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.766 177.182 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.04 -43.32 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.093 174.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -37.8 86.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.85 175.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.685 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -60.36 -48.14 83.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.968 174.401 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 13.8 mt -53.4 -45.46 69.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 177.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -56.54 -42.81 79.13 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.468 175.648 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 25.4 m -71.65 -46.56 58.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.551 -175.064 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.685 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 4.3 mm-40 -68.5 -31.83 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.709 0.29 . . . . 0.0 110.358 -179.153 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.6 85.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.246 175.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.3 69.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 179.075 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 2.2 m -85.33 -9.11 58.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.046 179.079 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.15 32.17 17.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.615 0.722 . . . . 0.0 110.141 -178.63 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 836' ' ' ALA . 1.0 OUTLIER -95.47 77.89 3.38 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.388 178.133 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 46.6 m-85 -58.84 -29.8 67.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.839 -178.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.28 93.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.109 0.48 . . . . 0.0 109.827 175.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . 0.402 ' HB3' ' HB3' ' A' ' 833' ' ' ASP . . . -75.27 -35.38 61.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.72 179.442 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.485 ' HA ' HD12 ' A' ' 837' ' ' LEU . 1.5 tp -57.86 -49.08 77.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.301 174.371 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.69 86.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.825 178.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -63.94 -45.81 87.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.892 177.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.4 m -69.78 -33.46 72.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.78 0.324 . . . . 0.0 110.964 179.409 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.64 97.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.039 0.447 . . . . 0.0 110.047 174.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -63.65 -32.99 74.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.158 175.39 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -49.97 69.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.192 177.492 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.552 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.1 OUTLIER -66.91 -40.99 87.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.314 -178.814 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.425 ' HG3' ' HG3' ' A' ' 857' ' ' LYS . 29.0 ttmt -57.31 -44.06 83.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.097 175.119 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.33 69.23 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.507 -0.77 . . . . 0.0 113.298 -178.228 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.552 HG22 ' HA ' ' A' ' 844' ' ' LEU . 24.3 m -70.16 -39.1 76.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 117.313 0.556 . . . . 0.0 111.15 -178.015 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.543 ' HA ' HD12 ' A' ' 851' ' ' LEU . 3.8 m-30 -69.28 -39.37 78.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.98 -31.66 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.598 175.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -66.27 -45.64 79.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.363 176.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 848' ' ' PHE . 1.3 mt -75.03 -9.39 58.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 178.228 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 77.43 24.49 0.8 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.94 176.808 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 853' ' ' LEU . 6.6 mt -83.49 85.65 7.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.548 176.336 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.482 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 17.2 t -58.97 -54.99 51.02 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.653 -175.504 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 12.0 Cg_endo -55.33 -38.71 93.6 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.454 2.103 . . . . 0.0 112.275 178.249 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.49 -47.49 69.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.604 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 861' ' ' GLU . 1.7 tttp -61.86 -38.88 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 177.06 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . 0.477 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 37.6 mt-30 -62.36 -37.63 86.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.177 178.41 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.498 HD23 ' CE2' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -60.87 -42.24 97.5 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.65 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 14.6 m -68.0 -29.83 68.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.157 177.423 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 857' ' ' LYS . 22.6 mm-40 -62.15 -51.6 67.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 110.18 175.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . 0.639 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.5 m -64.56 -34.08 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.77 178.527 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.481 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -61.74 -48.65 79.77 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.158 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.03 -42.02 79.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.072 0.463 . . . . 0.0 110.14 175.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . 0.747 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 2.7 t-160 -61.98 -39.51 92.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.929 177.381 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . 0.54 HD22 ' HA3' ' A' ' 874' ' ' GLY . 20.3 mt -68.61 -41.54 79.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 179.113 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.42 ' HA ' HD11 ' A' ' 875' ' ' ILE . 22.8 mt -67.65 -42.2 86.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.82 177.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.747 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -64.48 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.233 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 6.7 mm-40 -89.56 -4.29 57.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 110.308 179.373 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp 60.14 40.07 18.74 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.341 179.32 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -93.53 83.09 4.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.863 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.556 ' HA ' HD12 ' A' ' 875' ' ' ILE . 0.2 OUTLIER -48.53 -54.85 22.7 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -175.723 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 12.3 Cg_endo -55.95 -41.61 75.3 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.399 2.066 . . . . 0.0 112.602 -179.225 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . 0.54 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -67.44 -37.14 89.9 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.98 178.474 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.57 ' O ' HG12 ' A' ' 879' ' ' ILE . 69.7 mt -59.13 -56.81 14.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.361 0.124 . . . . 0.0 110.731 179.246 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 5.1 pt-20 -66.63 -32.15 73.29 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.916 -177.642 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -58.85 -48.87 79.84 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.031 0.443 . . . . 0.0 109.99 175.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.639 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.2 OUTLIER -67.31 -31.88 72.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.965 179.577 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 875' ' ' ILE . 42.5 mm -54.78 -49.13 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.585 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -32.89 74.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.268 178.317 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -72.06 -36.86 69.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.065 0.459 . . . . 0.0 110.938 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 10.1 mt -70.44 -32.81 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 173.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 8.7 t70 -71.57 -37.99 71.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.377 -177.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . 0.4 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 3.7 p -73.29 -29.71 62.91 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.176 176.391 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.67 -56.62 12.6 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 122.193 0.997 . . . . 0.0 110.045 176.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.47 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 2.5 t -59.53 -32.75 49.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.713 177.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 11.0 tttt -60.64 -41.38 94.8 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.48 175.491 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -23.83 48.02 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.812 0.339 . . . . 0.0 111.06 -179.531 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 4.6 mt -78.88 -27.52 44.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.33 178.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 51.3 mt . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.398 177.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.527 0.203 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.78 85.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.913 0.387 . . . . 0.0 110.493 -179.118 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -65.27 -46.34 80.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.635 178.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . 0.532 HD21 ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -66.0 -30.24 70.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.219 0.533 . . . . 0.0 110.537 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -72.72 -44.06 62.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.64 177.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -68.78 -30.21 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.906 -176.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.6 p -76.97 -13.16 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.959 -179.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 82.38 -0.38 89.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.29 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.451 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.7 OUTLIER -84.78 4.76 31.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.963 0.411 . . . . 0.0 110.906 -177.48 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.532 ' HD1' HD21 ' A' ' 805' ' ' LEU . 46.4 t80 -57.85 -31.9 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.457 176.366 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.68 91.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.104 178.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.29 -34.56 78.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.641 -178.338 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.462 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 3.4 t80 -60.63 -42.7 97.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.856 -176.418 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . 0.406 HG13 HD21 ' A' ' 890' ' ' LEU . 0.0 OUTLIER -103.2 13.68 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.035 0.445 . . . . 0.0 111.475 -177.609 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -112.16 -74.0 0.65 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.253 179.23 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 821' ' ' ASP . 1.5 t -85.55 -23.41 27.68 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -174.048 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.78 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 97.3 t -66.14 -57.93 11.98 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.715 -175.229 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.78 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 26.0 Cg_exo -63.4 -37.2 50.79 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 121.839 1.692 . . . . 0.0 111.856 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.83 -33.04 65.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -177.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 817' ' ' THR . 0.4 OUTLIER -66.42 -39.21 88.83 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 175.869 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 15.7 t -60.29 -44.14 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.08 174.471 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -46.05 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.282 175.415 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.708 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 9.4 ttt180 -58.68 -48.18 81.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.362 177.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 5.7 mt -54.77 -45.27 74.22 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.935 178.185 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -33.66 75.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.434 177.768 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 29.1 m -70.37 -42.4 71.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.074 178.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.708 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 1.6 mm-40 -64.41 -36.41 84.08 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.228 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.42 97.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 178.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -66.31 -17.0 64.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.249 178.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.67 6.06 25.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.69 177.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 56.02 31.84 18.8 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.945 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -87.47 72.97 9.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.68 179.322 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.669 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 44.7 m-85 -63.54 -24.8 67.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.57 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.22 97.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.253 0.549 . . . . 0.0 109.733 174.309 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.54 -33.71 60.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.861 179.234 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.671 HD12 ' HB2' ' A' ' 828' ' ' GLU . 0.7 OUTLIER -55.97 -53.26 59.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.36 175.308 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.84 99.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.081 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -60.81 -47.23 87.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.199 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.9 m -68.19 -39.22 82.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.948 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.48 -31.31 72.31 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.192 0.52 . . . . 0.0 110.64 177.784 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -68.23 -48.35 65.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.84 174.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -47.4 84.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.273 178.001 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.522 ' HA ' HG23 ' A' ' 847' ' ' VAL . 0.1 OUTLIER -61.39 -38.15 86.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.768 -178.272 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.553 ' HD2' ' HG2' ' A' ' 861' ' ' GLU . 0.7 OUTLIER -54.09 -47.42 71.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.345 173.586 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -62.46 -42.1 99.73 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.283 -0.872 . . . . 0.0 112.865 -178.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.522 HG23 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -62.56 -50.58 79.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 CA-C-N 116.702 0.251 . . . . 0.0 110.974 -179.343 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.53 ' HD2' ' HA3' ' A' ' 856' ' ' GLY . 4.8 m-85 -65.53 -39.07 91.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.78 -176.492 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.77 87.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.615 177.102 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 847' ' ' VAL . 0.8 OUTLIER -82.28 -15.71 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.93 0.395 . . . . 0.0 110.785 178.25 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' A' ' 848' ' ' PHE . 32.3 mt -91.38 -0.74 57.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.008 176.532 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.53 15.48 4.14 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.042 174.047 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 24.4 mt -89.35 75.55 7.68 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.818 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.517 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -55.17 -55.7 36.52 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.437 -175.791 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.517 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 31.5 Cg_exo -59.66 -36.34 92.43 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.842 1.694 . . . . 0.0 112.073 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . 0.53 ' HA3' ' HD2' ' A' ' 848' ' ' PHE . . . -66.5 -43.49 92.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.031 176.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -39.41 94.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.763 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . 0.406 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 0.0 OUTLIER -63.62 -35.07 79.31 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.357 177.617 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.39 -42.45 99.43 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 174.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.422 ' HB2' ' HD3' ' A' ' 845' ' ' LYS . 25.6 m -67.25 -27.6 67.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.17 177.861 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . 0.553 ' HG2' ' HD2' ' A' ' 845' ' ' LYS . 15.1 mm-40 -66.72 -54.13 26.22 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.23 0.538 . . . . 0.0 109.644 175.55 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.3 m -62.33 -37.51 85.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.807 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -57.83 -51.46 69.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.759 177.085 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.41 -41.44 80.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.814 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -63.44 -38.17 90.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.021 178.237 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 7.5 mt -73.85 -27.32 61.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.882 0.372 . . . . 0.0 110.778 179.388 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.596 HG12 HD23 ' A' ' 837' ' ' LEU . 70.6 mt -74.78 -41.16 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.538 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.506 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -63.95 -37.47 87.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.307 176.872 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.506 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.4 OUTLIER -81.21 1.06 33.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 176.359 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp 53.15 48.98 21.0 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.75 175.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.06 87.3 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.185 178.26 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.664 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 74.8 t -51.98 -53.62 49.7 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.564 -175.468 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.664 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.8 Cg_exo -55.58 -39.88 88.54 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.953 1.769 . . . . 0.0 112.176 179.234 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.05 93.6 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.581 -0.818 . . . . 0.0 111.482 177.019 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.524 HD11 ' HA ' ' A' ' 867' ' ' ILE . 52.9 mt -58.25 -54.38 33.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.625 0.25 . . . . 0.0 110.845 178.512 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -56.66 -45.35 81.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.073 -178.018 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -40.5 95.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.292 -177.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -73.48 -32.19 64.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -178.413 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.444 ' HA ' HD12 ' A' ' 882' ' ' ILE . 89.4 mt -61.96 -46.77 95.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 0.0 110.438 176.126 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -28.95 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.211 177.303 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.32 -34.96 79.15 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.301 0.572 . . . . 0.0 110.519 174.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 879' ' ' ILE . 53.1 mt -68.95 -32.74 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.937 172.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.6 -43.42 66.25 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.616 -178.489 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.3 p -66.69 -32.77 74.29 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.057 177.252 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -57.42 -58.37 8.59 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 122.408 1.099 . . . . 0.0 109.793 174.53 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.438 HG22 ' CZ ' ' A' ' 814' ' ' PHE . 1.0 OUTLIER -64.05 -35.82 74.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 113.329 -1.759 . . . . 0.0 110.514 -177.529 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -55.06 -51.84 65.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.108 176.403 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -33.13 73.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.822 -178.067 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -29.84 64.23 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -177.732 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.406 HD21 HG13 ' A' ' 815' ' ' VAL . 55.5 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.871 -0.585 . . . . 0.0 111.018 178.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 4.1 t30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.834 0.35 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -65.67 -43.08 90.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.517 178.431 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -60.31 -45.83 92.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 178.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.25 -30.93 71.46 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.265 0.555 . . . . 0.0 110.743 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -78.48 -41.15 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.088 178.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.08 82.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.147 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . 0.426 ' HB2' ' CD2' ' A' ' 810' ' ' TYR . 1.6 p -70.8 -33.33 70.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.994 0.426 . . . . 0.0 110.203 178.254 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 100.94 -10.33 58.6 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.466 176.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.426 ' CD2' ' HB2' ' A' ' 808' ' ' SER . 13.8 m-85 -80.48 20.73 0.68 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.107 0.48 . . . . 0.0 111.336 -175.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.59 -31.54 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.141 176.179 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.81 85.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.916 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -40.71 96.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.093 0.473 . . . . 0.0 110.53 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.413 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 64.8 t80 -64.91 -41.37 95.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.349 -178.17 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . 0.695 HG12 HD22 ' A' ' 890' ' ' LEU . 27.7 m -91.85 11.38 2.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.959 -177.622 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -112.87 -66.11 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.026 178.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.73 -34.37 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.933 -173.7 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.484 ' N ' ' HD2' ' A' ' 819' ' ' PRO . 98.2 t -60.33 -52.62 71.75 Favored Pre-proline 0 CA--C 1.537 0.452 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.425 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 818' ' ' VAL . 12.3 Cg_endo -57.24 -39.49 89.77 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 121.936 1.757 . . . . 0.0 112.561 177.601 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -73.24 -41.69 63.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.719 -178.773 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -43.72 98.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.178 179.134 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 31.7 t -61.93 -43.51 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 176.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -63.92 -44.47 92.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 179.041 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -62.8 -38.4 90.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.311 178.304 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.22 -45.49 79.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.956 174.499 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -59.09 -45.94 89.55 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.647 177.391 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 6.8 m -64.28 -45.45 87.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.047 -175.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -76.45 -25.26 54.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.326 -177.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.66 94.68 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.028 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.18 75.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.139 176.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -2.96 58.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.448 178.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.9 m 63.6 28.65 15.17 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.132 0.491 . . . . 0.0 110.509 -178.51 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -85.55 74.0 10.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.77 179.082 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.609 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 20.0 m-85 -64.86 -23.14 67.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.058 -177.525 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.09 -39.47 86.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.078 0.466 . . . . 0.0 110.016 175.127 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.6 -34.95 60.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.609 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 1.4 mp -57.62 -47.14 83.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.299 175.129 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.83 99.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.996 178.253 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -60.26 -46.93 88.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 111.019 178.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.3 m -68.58 -38.79 80.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.397 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.92 89.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.074 0.464 . . . . 0.0 110.271 176.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . 0.459 ' HD1' ' CD ' ' A' ' 864' ' ' GLU . 3.1 t60 -64.05 -39.42 94.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.183 175.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.497 ' O ' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -64.42 -45.07 89.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.604 177.909 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 844' ' ' LEU . 11.8 mt -64.28 -42.47 96.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.462 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.474 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 10.0 ttmt -55.54 -44.17 76.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.053 175.679 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -61.21 -50.43 67.25 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.794 -0.639 . . . . 0.0 113.201 -179.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 843' ' ' ARG . 0.7 OUTLIER -67.52 -39.17 81.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 117.122 0.461 . . . . 0.0 111.52 -176.858 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.24 -41.26 94.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.969 0.414 . . . . 0.0 110.077 178.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . 0.547 ' HA ' ' HE3' ' A' ' 857' ' ' LYS . . . -66.71 -36.02 81.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.787 176.442 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.5 ttt -65.83 -42.77 90.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.073 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 11.4 mt -84.61 -10.16 57.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.409 177.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 62.12 42.28 9.92 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.973 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.577 HD22 ' HE2' ' A' ' 885' ' ' TYR . 0.7 OUTLIER -82.05 82.81 7.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.714 174.919 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.788 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 2.4 t -45.56 -61.66 2.26 Favored Pre-proline 0 N--CA 1.471 0.612 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -169.594 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.788 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 36.9 Cg_exo -58.11 -43.1 50.74 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 121.855 1.703 . . . . 0.0 112.223 -177.804 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -68.44 -38.0 86.35 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.244 179.642 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . 0.66 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 0.0 OUTLIER -67.88 -36.87 81.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.257 178.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -64.66 -36.49 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.156 0.503 . . . . 0.0 109.771 175.158 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.0 -48.36 79.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.179 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.66 ' SG ' ' HA ' ' A' ' 857' ' ' LYS . 0.8 OUTLIER -72.12 -25.85 61.89 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.831 -178.65 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.0 -53.91 51.43 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.221 0.534 . . . . 0.0 110.028 174.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . 0.45 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -66.99 -34.36 77.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.639 178.405 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.591 ' O ' HG12 ' A' ' 867' ' ' ILE . 0.0 OUTLIER -58.64 -50.17 74.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.327 175.766 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . 0.459 ' CD ' ' HD1' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -56.37 -41.61 76.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.133 0.492 . . . . 0.0 110.733 179.004 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.93 -39.47 90.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.68 177.171 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 70.1 mt -69.47 -30.1 67.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.476 0.179 . . . . 0.0 110.685 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 863' ' ' LEU . 14.6 mm -68.33 -42.82 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 175.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.486 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.22 -34.8 78.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.727 179.482 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.486 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 38.3 mm-40 -87.04 -8.85 56.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.985 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.28 42.07 18.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.228 -178.538 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -84.73 84.49 7.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.475 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.2 t -50.03 -55.06 26.88 Favored Pre-proline 0 CA--C 1.537 0.443 0 O-C-N 123.574 0.546 . . . . 0.0 112.326 -175.392 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.4 Cg_endo -56.52 -43.83 51.57 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.153 1.902 . . . . 0.0 112.402 178.013 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -64.68 -42.89 97.04 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.802 177.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.477 HG12 HD13 ' A' ' 867' ' ' ILE . 54.8 mt -58.16 -50.78 77.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 177.058 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.6 -48.65 76.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.458 178.688 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -61.03 -49.51 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.275 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.45 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 8.7 m-85 -72.31 -33.98 67.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -174.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 16.0 mt -61.95 -43.37 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.003 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 6.2 m -67.98 -31.73 71.65 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.758 177.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . 0.439 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.7 OUTLIER -70.42 -38.57 74.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.021 0.439 . . . . 0.0 110.741 179.774 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 76.9 mt -69.11 -36.16 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.374 0.607 . . . . 0.0 109.875 174.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 9.7 t70 -72.47 -42.66 64.69 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.327 -178.008 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . 0.622 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 17.6 p -64.73 -28.4 69.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.271 176.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . 0.577 ' HE2' HD22 ' A' ' 853' ' ' LEU . 8.0 t80 -56.07 -53.33 58.35 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 171.234 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.48 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.8 m -64.7 -31.52 54.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.454 176.325 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 0.9 OUTLIER -69.71 -20.43 63.53 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.659 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -30.71 17.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.934 0.397 . . . . 0.0 110.125 174.345 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.04 -50.84 10.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.657 -178.334 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.695 HD22 HG12 ' A' ' 815' ' ' VAL . 1.1 pp . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.046 -176.338 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.318 0 CA-C-O 120.725 0.298 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -74.05 -42.87 59.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.601 -179.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -64.7 -37.16 86.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.349 178.103 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 2.8 tp -66.65 -33.48 75.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.277 0.56 . . . . 0.0 110.223 176.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 1.9 t-160 -69.02 -36.82 78.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.753 175.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -78.36 -26.48 46.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.064 -176.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . 0.454 ' HB2' ' HD2' ' A' ' 810' ' ' TYR . 1.4 p -81.49 -17.11 49.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.917 0.389 . . . . 0.0 111.021 -178.692 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 89.57 5.95 71.18 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.617 178.083 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . 0.454 ' HD2' ' HB2' ' A' ' 808' ' ' SER . 75.1 m-85 -91.02 2.54 56.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.985 0.422 . . . . 0.0 110.437 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.535 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.4 t80 -64.81 -39.46 93.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.653 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.62 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.901 0.382 . . . . 0.0 110.59 177.221 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 813' ' ' LEU . 0.0 OUTLIER -66.93 -38.68 86.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.214 175.571 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.539 ' CZ ' HG22 ' A' ' 886' ' ' VAL . 84.4 t80 -59.69 -35.41 74.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.816 178.662 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . 0.489 ' CG1' HD21 ' A' ' 890' ' ' LEU . 10.5 m -100.48 14.17 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 0.0 111.371 178.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -101.73 -64.79 1.03 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.384 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.51 -40.55 10.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.115 -174.159 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.689 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 58.5 t -55.9 -56.03 34.77 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -173.573 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.689 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 33.4 Cg_exo -59.7 -33.62 96.45 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.02 1.813 . . . . 0.0 112.085 -179.286 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.41 -42.43 65.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.452 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.56 -35.01 78.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.533 178.669 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.68 -43.99 99.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.017 0.436 . . . . 0.0 110.149 175.049 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -67.39 -34.03 76.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.148 0.499 . . . . 0.0 110.331 177.077 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.47 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.4 ttp180 -65.19 -41.6 94.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.004 175.545 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.515 ' HG ' ' HB ' ' A' ' 840' ' ' THR . 1.9 mt -55.12 -47.57 74.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.988 0.423 . . . . 0.0 110.109 174.611 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -54.77 -45.53 74.25 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.575 0.702 . . . . 0.0 110.459 175.404 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.0 m -64.17 -46.18 85.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.516 -177.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 7.8 mm-40 -74.15 -25.93 60.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.01 -177.472 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.49 84.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 0.0 109.897 174.007 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -69.44 -29.82 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.988 175.508 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 828' ' ' GLU . 0.3 OUTLIER -78.62 -13.48 59.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.051 176.11 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.59 21.06 12.56 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.721 -175.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -86.11 78.63 9.36 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.145 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.569 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 38.6 m-85 -61.91 -25.54 67.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.411 -179.113 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.7 85.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.16 0.505 . . . . 0.0 109.704 174.347 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -73.86 -36.09 64.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.09 177.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.4 OUTLIER -58.44 -44.72 89.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.404 174.223 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.1 85.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.222 176.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -61.87 -41.57 98.01 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.309 177.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . 0.515 ' HB ' ' HG ' ' A' ' 825' ' ' LEU . 0.0 OUTLIER -71.05 -42.49 69.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.938 0.399 . . . . 0.0 110.426 179.346 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 845' ' ' LYS . . . -61.58 -34.15 75.12 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 175.691 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -61.16 -49.43 77.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.618 176.781 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -42.88 94.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.717 179.068 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 844' ' ' LEU . 6.0 mt -66.21 -46.42 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -177.504 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.444 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 0.0 OUTLIER -60.75 -37.3 81.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.09 178.527 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.45 -51.23 44.26 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.068 -0.586 . . . . 0.0 112.63 178.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.644 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 9.8 p -68.81 -36.2 73.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.938 0.369 . . . . 0.0 111.476 -177.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -66.67 -38.23 86.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.813 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . 0.62 ' HB2' ' HD2' ' A' ' 857' ' ' LYS . . . -64.6 -32.5 74.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.103 0.478 . . . . 0.0 110.283 175.03 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.22 -35.74 80.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.579 177.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.4 OUTLIER -86.93 -7.03 58.57 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.601 0.238 . . . . 0.0 110.406 175.525 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 71.84 19.57 4.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.089 177.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.49 81.93 2.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.568 177.844 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.497 ' HB ' ' CD ' ' A' ' 855' ' ' PRO . 3.4 t -52.36 -61.02 5.08 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.924 -174.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.497 ' CD ' ' HB ' ' A' ' 854' ' ' VAL . 8.1 Cg_endo -52.77 -43.72 53.69 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.413 2.075 . . . . 0.0 112.648 -178.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.98 -45.78 79.67 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.167 178.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . 0.62 ' HD2' ' HB2' ' A' ' 849' ' ' ALA . 23.4 tttt -62.6 -39.9 95.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.836 0.35 . . . . 0.0 110.107 178.361 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . 0.506 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 8.2 tp60 -66.53 -34.43 77.89 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.42 178.686 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -44.85 86.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 8.9 m -66.2 -35.57 80.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.076 177.171 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . 0.506 ' HG3' ' HA ' ' A' ' 858' ' ' GLN . 1.6 mt-10 -62.78 -48.31 79.7 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.064 0.459 . . . . 0.0 110.351 177.004 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.2 m -66.41 -33.26 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.574 178.211 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -46.33 89.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.214 174.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.18 -42.5 81.3 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.208 0.528 . . . . 0.0 110.183 176.084 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . 0.827 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 12.1 t60 -68.49 -29.55 68.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.26 179.199 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . 0.561 HD22 ' HA3' ' A' ' 874' ' ' GLY . 13.8 mt -75.46 -28.91 59.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.025 0.44 . . . . 0.0 110.258 176.476 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 834' ' ' PHE . 4.3 mt -72.2 -45.43 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.967 175.485 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.827 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -64.69 -36.26 83.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.736 178.793 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.563 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.3 OUTLIER -82.42 -12.13 58.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 178.742 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 870' ' ' LYS . 0.0 OUTLIER 57.92 64.76 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.324 -178.279 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -117.2 91.8 3.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.26 176.061 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.698 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 86.4 t -54.24 -54.95 42.13 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.046 -178.129 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.698 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 52.7 Cg_exo -56.17 -39.8 88.93 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.055 1.837 . . . . 0.0 112.159 178.756 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . 0.561 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -62.93 -49.84 68.84 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.854 177.294 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 879' ' ' ILE . 55.9 mt -57.1 -49.14 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.732 0.301 . . . . 0.0 110.221 177.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.57 -49.56 72.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.258 -179.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -36.19 82.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.376 -178.015 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -74.72 -32.2 62.08 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.031 -178.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 875' ' ' ILE . 89.4 mt -66.86 -41.44 87.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.057 175.321 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -33.22 71.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.955 0.407 . . . . 0.0 109.993 177.138 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -46.03 79.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.379 176.374 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 0.5 OUTLIER -64.69 -32.31 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 178.166 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 7.5 t70 -71.68 -44.1 64.85 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.068 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -38.6 83.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.772 -1.103 . . . . 0.0 109.77 173.861 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . 0.487 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 25.3 t80 -59.16 -57.49 12.81 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 122.528 1.156 . . . . 0.0 110.553 178.569 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.539 HG22 ' CZ ' ' A' ' 814' ' ' PHE . 1.5 t -62.41 -34.2 63.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 113.292 -1.776 . . . . 0.0 110.28 -178.378 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 0.1 OUTLIER -66.62 -33.58 75.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.704 178.3 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.99 -29.85 39.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 110.498 178.226 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -21.36 60.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.042 0.448 . . . . 0.0 110.619 177.328 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.489 HD21 ' CG1' ' A' ' 815' ' ' VAL . 14.4 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.459 -0.782 . . . . 0.0 110.627 176.368 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.012 0.434 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -66.07 -42.42 89.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.463 178.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -40.94 99.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.835 178.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -29.92 67.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 -179.175 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 806' ' ' HIS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 10.5 t-160 -76.15 -37.81 57.52 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.315 174.621 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.24 -37.06 85.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.338 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -33.04 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.037 177.138 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 103.01 8.62 41.52 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.668 177.101 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -96.57 13.01 29.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.342 0.592 . . . . 0.0 111.077 -177.613 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 811' ' ' TYR . . . . . 0.633 ' OH ' ' HA ' ' A' ' 890' ' ' LEU . 4.8 t80 -60.74 -30.71 70.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.685 174.144 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.66 -48.43 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.388 179.074 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.16 -32.64 73.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.121 0.486 . . . . 0.0 110.194 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 814' ' ' PHE . . . . . 0.471 ' HE1' ' HE1' ' A' ' 848' ' ' PHE . 18.3 t80 -61.2 -41.6 97.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.079 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.7 m -93.41 -0.83 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.823 0.344 . . . . 0.0 111.607 -178.294 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -94.82 -66.37 0.92 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.795 -175.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.6 t -102.82 -18.47 15.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -171.175 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 818' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 822' ' ' VAL . 94.5 t -65.73 -56.52 17.72 Favored Pre-proline 0 CA--C 1.536 0.427 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.789 -175.082 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 819' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 822' ' ' VAL . 21.8 Cg_endo -62.03 -26.05 78.1 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.847 1.698 . . . . 0.0 112.188 178.755 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -33.34 70.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.073 0.464 . . . . 0.0 109.823 177.13 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.98 -34.42 61.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.64 179.424 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 822' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 819' ' ' PRO . 1.1 m -65.89 -37.4 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.626 -0.43 . . . . 0.0 109.845 174.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 823' ' ' LYS . . . . . 0.604 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.2 OUTLIER -68.42 -38.72 81.48 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 174.792 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.671 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -59.66 -45.75 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.639 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 1.5 mt -53.26 -47.3 69.2 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.315 0.385 . . . . 0.0 110.515 176.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 826' ' ' TYR . . . . . 0.604 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 21.0 m-85 -53.7 -45.86 70.54 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.43 175.167 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.8 m -64.07 -46.53 83.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.903 -177.016 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 828' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 14.6 mm-40 -72.56 -30.83 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.623 -177.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.78 94.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.638 178.587 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.69 78.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.332 179.185 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.76 8.95 32.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.472 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.4 35.5 20.62 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.691 0.796 . . . . 0.0 111.005 179.376 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -88.69 71.77 8.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.403 178.084 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 834' ' ' PHE . . . . . 0.632 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 97.3 m-85 -61.1 -28.07 68.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.571 -179.335 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.02 97.33 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.194 0.521 . . . . 0.0 109.93 174.401 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.79 60.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.687 178.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 837' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.8 OUTLIER -57.14 -46.97 82.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.113 174.44 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.79 98.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.031 177.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -61.85 -47.41 85.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.633 0.254 . . . . 0.0 111.369 177.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 5.2 m -63.82 -40.06 95.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.781 179.654 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.5 87.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.911 0.386 . . . . 0.0 110.23 176.024 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -65.56 -41.9 92.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.189 176.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -43.85 92.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.221 177.595 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 844' ' ' LEU . . . . . 0.556 ' HA ' HG22 ' A' ' 847' ' ' VAL . 6.4 mt -66.29 -39.18 89.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.635 179.589 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 845' ' ' LYS . . . . . 0.732 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 23.3 ttmt -58.65 -44.24 90.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.821 175.223 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.26 71.35 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.009 -179.175 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.584 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 29.9 m -67.5 -39.15 81.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 117.223 0.511 . . . . 0.0 111.512 -176.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.471 ' HE1' ' HE1' ' A' ' 814' ' ' PHE . 3.4 m-85 -69.4 -40.89 77.08 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.53 88.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.941 0.4 . . . . 0.0 110.331 175.33 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 32.8 tpp -63.76 -43.74 95.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.692 176.578 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 60.7 mt -74.64 -10.78 59.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.214 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 0.8 OUTLIER 80.64 18.3 0.56 Allowed 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.655 0.74 . . . . 0.0 109.777 178.167 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 18.0 mt -87.87 80.6 7.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.898 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 854' ' ' VAL . . . . . 0.599 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 4.4 t -56.8 -52.64 72.24 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.414 -177.542 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 855' ' ' PRO . . . . . 0.599 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 65.0 Cg_exo -53.2 -47.59 26.67 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.36 2.04 . . . . 0.0 112.632 178.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -61.88 -45.86 95.31 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.992 178.02 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.13 -38.55 91.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.622 0.249 . . . . 0.0 110.46 179.539 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -35.49 79.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.114 178.156 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.55 -45.18 94.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.819 175.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 860' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 15.7 m -64.23 -37.32 87.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.32 177.483 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 861' ' ' GLU . . . . . 0.732 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 15.5 mt-10 -63.15 -45.96 89.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.148 177.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 4.9 m -66.83 -34.62 78.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.585 177.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.2 OUTLIER -60.52 -47.29 86.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.118 175.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.48 -45.0 73.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.255 0.55 . . . . 0.0 110.288 176.102 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -62.04 -44.27 97.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.879 177.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.35 -36.99 84.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.873 0.368 . . . . 0.0 110.71 179.486 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.525 ' HA ' HD11 ' A' ' 875' ' ' ILE . 43.5 mt -70.19 -39.84 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.975 178.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 868' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.28 -33.86 76.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.761 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 869' ' ' GLU . . . . . 0.479 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 10.9 pt-20 -96.52 1.37 51.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.093 0.473 . . . . 0.0 110.682 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 61.18 36.03 18.21 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.479 173.329 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -80.55 79.89 7.09 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.007 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 872' ' ' VAL . . . . . 0.67 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 6.6 t -49.04 -54.04 32.41 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.595 -175.534 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 873' ' ' PRO . . . . . 0.67 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 52.0 Cg_exo -55.87 -39.97 87.93 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.044 1.829 . . . . 0.0 112.336 178.155 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -68.61 -37.99 85.61 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.871 178.652 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.525 HD11 ' HA ' ' A' ' 867' ' ' ILE . 47.8 mt -61.84 -55.47 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.416 0.15 . . . . 0.0 111.02 179.322 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 876' ' ' GLU . . . . . 0.493 ' HA ' HD12 ' A' ' 879' ' ' ILE . 4.3 pt-20 -61.71 -40.04 93.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.689 -177.75 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -42.67 94.98 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.34 177.698 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 878' ' ' TYR . . . . . 0.449 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 2.4 m-85 -69.75 -32.03 70.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 -179.126 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 879' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 875' ' ' ILE . 78.7 mt -60.55 -45.34 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -29.06 67.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.981 176.517 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.23 -39.35 75.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.087 0.47 . . . . 0.0 110.24 178.222 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 5.5 mt -67.64 -33.18 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.659 173.541 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 883' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 14.0 t0 -69.56 -48.59 59.81 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.422 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.4 p -63.72 -40.41 96.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.574 178.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -48.71 -56.68 7.86 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 122.16 0.981 . . . . 0.0 109.858 172.428 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 886' ' ' VAL . . . . . 0.672 HG13 HD21 ' A' ' 890' ' ' LEU . 1.2 t -67.3 -37.16 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.142 0 CA-C-N 113.535 -1.666 . . . . 0.0 110.758 -176.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 887' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 14.1 mmtm -55.61 -40.97 72.81 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 177.605 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.2 p -90.92 -23.39 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.478 -176.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 889' ' ' LEU . . . . . 0.405 ' HB3' ' CE2' ' A' ' 814' ' ' PHE . 0.1 OUTLIER -81.6 -25.83 35.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -177.469 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.672 HD21 HG13 ' A' ' 886' ' ' VAL . 1.6 pp . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.317 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . 0.606 ' HB2' ' HA ' ' A' ' 779' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.212 0.529 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.06 -27.12 7.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.65 -177.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.59 ' H ' ' CD ' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -102.34 -77.39 0.56 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.74 -178.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -69.35 -34.93 75.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.079 -177.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . 0.819 HG13 ' H ' ' A' ' 780' ' ' LEU . 4.3 p 41.7 -90.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.684 1.193 . . . . 0.0 112.814 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . 0.819 ' H ' HG13 ' A' ' 779' ' ' VAL . 12.8 mt -143.97 142.91 30.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 117.921 0.328 . . . . 0.0 110.521 -178.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.06 162.53 19.83 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.992 ' HG ' HG12 ' A' ' 783' ' ' ILE . 0.1 OUTLIER -73.58 -45.76 51.28 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.992 HG12 ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -163.39 -126.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 171.457 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.519 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 0.0 OUTLIER -142.38 -39.78 0.35 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.734 -0.387 . . . . 0.0 111.247 174.711 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.41 HG13 ' HG2' ' A' ' 784' ' ' GLU . 4.4 m -108.51 -37.87 3.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.748 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . 0.894 ' HG3' HD11 ' A' ' 782' ' ' LEU . 0.0 OUTLIER 62.98 73.19 0.47 Allowed 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 122.759 0.424 . . . . 0.0 111.359 177.216 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 61.32 23.62 13.83 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.376 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -120.13 168.02 11.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.308 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 63.24 23.24 13.75 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.705 0.628 . . . . 0.0 111.753 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -118.77 156.9 28.56 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.85 120.39 20.37 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.522 -176.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 12.3 p -93.76 49.29 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-O 122.536 1.16 . . . . 0.0 109.945 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 10.8 t -93.97 26.15 3.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.981 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.55 -168.96 2.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.16 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 59.1 97.54 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.53 0 C-N-CA 123.736 0.814 . . . . 0.0 111.431 -177.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -79.96 -144.26 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.176 2.584 . . . . 0.0 112.168 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.97 133.12 51.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 132.28 96.92 0.66 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.572 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -142.37 -68.54 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.566 -0.613 . . . . 0.0 111.566 175.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -165.95 40.34 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.591 0.71 . . . . 0.0 109.308 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 34.5 mp0 -55.0 -40.11 69.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.904 -1.044 . . . . 0.0 112.27 -174.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -36.49 76.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.951 0.405 . . . . 0.0 110.242 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -69.4 -36.9 77.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.032 0.444 . . . . 0.0 110.045 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -60.52 -48.47 81.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.602 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -31.33 72.49 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.69 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -68.21 -40.13 82.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.741 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.08 70.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.832 -177.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -31.18 70.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.966 0.412 . . . . 0.0 110.389 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 107.74 -0.98 34.1 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.833 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.418 ' HD2' HD23 ' A' ' 851' ' ' LEU . 1.4 m-30 -76.8 -0.62 24.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.195 0.522 . . . . 0.0 110.689 -178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.444 ' O ' HG22 ' A' ' 815' ' ' VAL . 0.9 OUTLIER -61.06 -29.45 69.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.07 174.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.49 -40.54 91.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.488 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.2 mt -71.93 -36.6 69.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.011 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 889' ' ' LEU . 0.4 OUTLIER -59.18 -31.88 69.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.535 -178.447 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 811' ' ' TYR . 11.9 m -106.39 6.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.691 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -97.43 -81.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.718 0.294 . . . . 0.0 110.714 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.0 -21.93 23.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.776 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 92.9 t -64.5 -57.68 16.28 Favored Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -173.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.776 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 39.4 Cg_exo -62.5 -28.68 77.88 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 121.923 1.749 . . . . 0.0 111.786 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.5 ' O ' ' HG3' ' A' ' 823' ' ' LYS . 15.5 t70 -66.59 -41.9 87.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.462 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.72 -34.04 71.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.165 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 825' ' ' LEU . 53.7 t -65.74 -49.34 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -67.26 -29.11 68.64 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.45 178.492 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.729 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 6.5 ttm105 -68.13 -44.29 76.43 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.679 ' HG ' HG21 ' A' ' 840' ' ' THR . 9.8 mt -48.05 -49.87 29.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.979 0.419 . . . . 0.0 110.414 174.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -59.42 -45.02 92.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.016 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 36.1 m -66.73 -45.47 78.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.387 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.729 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 4.0 mm-40 -71.66 -30.19 65.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.778 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . 0.452 ' HB2' HD21 ' A' ' 837' ' ' LEU . . . -64.68 -39.32 93.47 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.867 0.365 . . . . 0.0 110.174 175.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.56 85.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.999 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -10.29 59.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.408 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 6.7 m 66.51 33.77 6.5 Favored 'General case' 0 N--CA 1.46 0.057 0 CA-C-O 121.456 0.646 . . . . 0.0 110.47 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -82.78 76.48 9.62 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.469 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.62 ' HA ' HD12 ' A' ' 837' ' ' LEU . 58.1 m-85 -55.15 -27.71 47.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.014 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.97 91.42 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.113 0.482 . . . . 0.0 110.729 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 839' ' ' GLN . . . -82.2 -33.94 29.18 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.365 -176.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 834' ' ' PHE . 44.4 mt -60.16 -43.0 96.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.77 -1.104 . . . . 0.0 109.938 174.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -67.62 -49.29 63.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.969 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' ' 836' ' ' ALA . 0.1 OUTLIER -60.99 -39.59 90.23 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.29 -178.285 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . 0.679 HG21 ' HG ' ' A' ' 825' ' ' LEU . 4.5 m -73.29 -37.26 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.87 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.33 93.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 110.114 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -38.12 77.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.597 177.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -47.92 82.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.482 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.586 ' HA ' HG22 ' A' ' 847' ' ' VAL . 11.9 mt -64.96 -41.0 95.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.533 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.695 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 11.1 ttmt -56.28 -44.05 79.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.087 175.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.57 -44.78 70.3 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.762 -0.653 . . . . 0.0 113.083 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.586 HG22 ' HA ' ' A' ' 844' ' ' LEU . 31.4 m -71.91 -32.37 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 117.115 0.458 . . . . 0.0 111.204 -177.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.69 -38.15 73.67 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -64.64 -34.6 78.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.081 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 2.6 tpp -66.55 -41.77 88.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.473 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.418 HD23 ' HD2' ' A' ' 810' ' ' TYR . 60.4 mt -74.52 -11.48 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.485 176.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 74.5 25.05 1.67 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.386 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.96 92.95 8.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.868 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.462 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 2.6 t -61.9 -55.94 36.76 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.965 -175.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 10.0 Cg_endo -54.52 -36.74 89.43 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.412 2.075 . . . . 0.0 112.782 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.41 -47.82 67.83 Favored Glycine 0 C--O 1.239 0.436 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.723 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -35.71 80.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -44.74 90.79 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.9 mt -58.88 -44.08 91.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.978 0.418 . . . . 0.0 110.301 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 12.2 m -66.66 -32.38 73.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.075 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . 0.695 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 1.4 mm-40 -65.04 -47.98 75.46 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 177.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -34.6 78.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.409 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.6 OUTLIER -57.42 -51.08 70.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 177.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 867' ' ' ILE . 2.5 pt-20 -62.95 -36.37 83.22 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 110.426 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -67.35 -38.78 85.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.591 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . 0.504 HD22 ' HA3' ' A' ' 874' ' ' GLY . 14.6 mt -67.29 -29.79 69.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.788 0.327 . . . . 0.0 110.383 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 864' ' ' GLU . 23.5 mt -72.37 -38.78 61.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.605 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.38 -35.74 81.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.9 177.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.605 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 20.1 mm-40 -85.4 -7.4 58.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 870' ' ' LYS . 14.6 mmtp 62.07 36.72 15.17 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.079 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -89.98 82.0 6.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.485 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.9 t -52.03 -53.24 54.0 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.411 -176.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 13.3 Cg_endo -57.53 -35.03 98.91 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.327 2.018 . . . . 0.0 112.424 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . 0.504 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -70.36 -42.08 66.1 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.029 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 872' ' ' VAL . 56.2 mt -57.25 -53.39 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.626 0.25 . . . . 0.0 110.46 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 0.2 OUTLIER -65.59 -33.89 76.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.002 -178.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -59.1 -49.52 77.57 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.166 176.745 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.501 ' HA ' ' HB2' ' A' ' 881' ' ' ASP . 4.8 m-85 -72.45 -31.88 65.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 -177.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.21 -43.12 88.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.3 m -67.43 -37.01 82.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.468 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . 0.501 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -65.69 -35.09 79.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.185 0.517 . . . . 0.0 110.597 178.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 68.3 mt -73.69 -33.99 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.155 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -69.29 -46.85 66.2 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.0 p -62.9 -38.49 91.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.067 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . 0.5 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 5.7 t80 -60.5 -57.87 10.88 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.995 0.903 . . . . 0.0 110.312 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.474 HG22 ' HE1' ' A' ' 814' ' ' PHE . 0.9 OUTLIER -59.61 -36.56 65.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 CA-C-N 113.751 -1.568 . . . . 0.0 110.358 -178.154 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 178.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -27.6 61.7 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.572 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . 0.481 ' HB3' ' CE2' ' A' ' 814' ' ' PHE . 0.2 OUTLIER -88.14 -13.02 42.34 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.094 -0.243 . . . . 0.0 111.459 -178.528 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.458 176.631 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 16.0 ttm . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.353 0.121 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.66 -13.97 60.34 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -68.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.249 0.547 . . . . 0.0 109.597 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -88.23 53.31 2.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.558 0.694 . . . . 0.0 109.793 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 9.0 p -87.09 155.81 3.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.566 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . 0.487 ' H ' ' HG ' ' A' ' 780' ' ' LEU . 0.0 OUTLIER -54.18 -50.3 67.34 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 174.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . 0.69 ' HG3' ' HG2' ' A' ' 784' ' ' GLU . 0.6 OUTLIER 173.9 -44.83 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.098 -0.956 . . . . 0.0 108.794 176.439 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 1.052 ' HG ' HG12 ' A' ' 783' ' ' ILE . 50.7 tp 66.17 -83.74 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.25 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 1.052 HG12 ' HG ' ' A' ' 782' ' ' LEU . 0.2 OUTLIER -142.1 1.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.037 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.69 ' HG2' ' HG3' ' A' ' 781' ' ' GLN . 15.2 mm-40 71.84 -19.45 0.27 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.544 0.737 . . . . 0.0 112.496 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.546 HG23 ' H ' ' A' ' 786' ' ' GLN . 0.0 OUTLIER -92.04 -61.9 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.723 0.297 . . . . 0.0 110.477 -176.168 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . 0.546 ' H ' HG23 ' A' ' 785' ' ' VAL . 0.7 OUTLIER 65.63 4.05 2.68 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.483 175.337 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 787' ' ' LEU . 0.0 OUTLIER -168.73 -48.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.912 0.387 . . . . 0.0 110.545 -178.16 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . 0.445 ' HB3' HG12 ' A' ' 785' ' ' VAL . . . -65.7 -18.05 65.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.495 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . 0.467 ' HB2' HG11 ' A' ' 785' ' ' VAL . 0.0 OUTLIER -145.75 140.43 27.17 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 176.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.641 ' HG3' ' H ' ' A' ' 791' ' ' GLU . 0.7 OUTLIER 62.95 -174.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 O-C-N 124.16 0.913 . . . . 0.0 110.867 -174.211 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . 0.641 ' H ' ' HG3' ' A' ' 790' ' ' GLU . 2.8 tp10 56.34 25.54 9.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.188 -175.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . 0.499 ' HB ' ' H ' ' A' ' 793' ' ' THR . 0.1 OUTLIER 34.07 -144.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.029 0.932 . . . . 0.0 112.522 -172.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . 0.499 ' H ' ' HB ' ' A' ' 792' ' ' VAL . 0.1 OUTLIER -133.04 -2.53 3.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.337 -0.227 . . . . 0.0 111.383 175.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 64.83 -83.05 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.394 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.33 115.59 55.84 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 120.969 0.414 . . . . 0.0 111.339 -178.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -75.34 84.94 1.63 Allowed 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.996 2.464 . . . . 0.0 112.067 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 57.61 -131.44 1.42 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.526 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -136.1 -61.82 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.391 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 88.39 -14.31 59.84 Favored Glycine 0 N--CA 1.453 -0.185 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.97 50.47 2.05 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -54.17 -34.2 59.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.875 -174.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -62.84 -42.09 99.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.672 0.272 . . . . 0.0 110.742 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -71.1 -39.41 72.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.753 0.311 . . . . 0.0 110.416 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -61.63 -47.17 86.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.022 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.561 ' HA ' ' CE1' ' A' ' 810' ' ' TYR . 0.1 OUTLIER -67.93 -32.71 73.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.573 -178.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.539 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 18.8 t-80 -70.72 -51.3 28.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.069 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -68.95 -27.63 65.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.977 -175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 72.4 m -78.92 -1.14 33.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.24 -31.33 4.47 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.535 -0.84 . . . . 0.0 114.02 172.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 805' ' ' LEU . 1.7 p90 -73.38 8.6 1.67 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.655 0.727 . . . . 0.0 111.932 -176.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.539 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 15.6 t80 -61.74 -32.11 72.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 170.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -61.22 -42.53 98.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.598 177.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -31.13 63.68 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 109.773 177.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.447 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 51.1 t80 -61.03 -40.08 92.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.608 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . 0.435 HG12 HD21 ' A' ' 890' ' ' LEU . 32.1 m -93.42 2.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 0.0 111.212 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 5.4 t0 -92.24 -61.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.775 -178.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.9 t -104.79 -34.04 8.22 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' A' ' 814' ' ' PHE . 46.2 t -57.36 -55.23 46.55 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -170.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 818' ' ' VAL . 17.9 Cg_endo -60.97 -39.65 59.03 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 121.597 1.531 . . . . 0.0 111.921 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 824' ' ' ARG . 16.3 t70 -65.79 -40.12 91.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.216 178.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . 0.706 ' HB3' HD21 ' A' ' 844' ' ' LEU . 0.4 OUTLIER -60.08 -40.28 89.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.299 177.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.5 -42.31 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.448 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 826' ' ' TYR . 0.1 OUTLIER -62.27 -39.91 94.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.565 177.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.529 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 60.4 mtm-85 -69.35 -35.47 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.21 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.73 -42.0 87.71 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 823' ' ' LYS . 10.9 m-85 -57.37 -43.04 83.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.121 173.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.8 m -65.57 -45.54 82.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.631 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.9 mm-40 -70.94 -28.05 64.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.052 0.453 . . . . 0.0 110.675 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . 0.777 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -70.3 -33.93 72.13 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.685 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.12 -30.81 71.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.147 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -7.8 52.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.77 0.319 . . . . 0.0 111.032 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.69 33.07 22.81 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 110.275 -177.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -84.83 76.68 10.21 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.461 -0.79 . . . . 0.0 108.942 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.616 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 96.9 m-85 -52.74 -30.51 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.705 -178.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.558 0.695 . . . . 0.0 110.182 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -80.78 -34.01 34.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.498 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.777 HD11 ' HA ' ' A' ' 829' ' ' ALA . 0.4 OUTLIER -58.18 -45.97 86.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.929 174.729 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.51 91.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.259 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -64.68 -39.33 93.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.605 0.241 . . . . 0.0 111.202 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 4.9 m -74.05 -38.03 64.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.67 0.271 . . . . 0.0 110.754 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.56 78.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.016 0.436 . . . . 0.0 109.88 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -44.25 94.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.04 173.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 2.8 mtm-85 -64.26 -44.86 90.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.888 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.706 HD21 ' HB3' ' A' ' 821' ' ' ASP . 0.9 OUTLIER -66.59 -40.2 88.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.171 0.51 . . . . 0.0 110.413 -178.321 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -63.14 -40.01 96.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.786 175.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.13 -45.45 71.51 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.955 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 844' ' ' LEU . 16.2 m -65.78 -41.69 90.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 117.091 0.446 . . . . 0.0 111.227 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -67.65 -40.38 84.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.42 -34.74 78.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -60.63 -47.13 87.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.776 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.18 -5.67 59.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.854 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.9 34.67 1.88 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.076 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 853' ' ' LEU . 9.6 mt -85.51 82.71 8.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.158 174.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.521 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 14.3 t -49.31 -54.01 34.01 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.753 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.521 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 49.6 Cg_exo -55.28 -43.71 56.07 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.92 1.747 . . . . 0.0 112.247 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.35 -48.31 70.55 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.375 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -36.13 83.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.569 0.223 . . . . 0.0 110.6 -179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -36.37 83.36 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.116 0.484 . . . . 0.0 110.109 177.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -44.99 90.77 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.878 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 56.5 m -63.8 -42.06 97.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.419 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -58.08 -48.11 81.15 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.094 0.473 . . . . 0.0 110.65 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 7.3 m -66.49 -36.19 82.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.835 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.577 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.6 OUTLIER -63.46 -44.35 94.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.479 176.44 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -36.54 77.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.939 0.399 . . . . 0.0 110.458 177.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -59.99 -47.06 87.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.027 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . 0.577 HD22 ' HA3' ' A' ' 874' ' ' GLY . 7.9 mt -64.12 -33.97 76.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.776 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.647 ' HA ' HD11 ' A' ' 875' ' ' ILE . 56.6 mt -74.41 -37.31 44.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.422 0.63 . . . . 0.0 109.558 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -63.13 -36.27 83.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.8 179.295 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.527 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 18.6 pt-20 -92.1 -0.63 57.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.867 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 66.0 mttt 60.36 37.63 20.02 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.763 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -87.45 84.27 7.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.951 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -51.58 68.51 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -176.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.417 ' O ' ' HG3' ' A' ' 876' ' ' GLU . 51.4 Cg_exo -55.44 -42.13 71.21 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.243 1.962 . . . . 0.0 112.554 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . 0.577 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -68.09 -38.9 88.76 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.919 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.647 HD11 ' HA ' ' A' ' 867' ' ' ILE . 37.5 mt -61.39 -54.43 35.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.397 0.141 . . . . 0.0 110.737 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 0.7 OUTLIER -62.33 -36.11 81.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.613 -178.28 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -49.42 76.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.946 0.403 . . . . 0.0 110.642 177.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.577 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 1.6 m-85 -72.21 -32.11 66.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.498 -177.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.472 ' O ' HG22 ' A' ' 882' ' ' ILE . 20.8 mt -62.76 -44.66 99.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.177 174.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 6.0 m -64.17 -32.92 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.053 0.454 . . . . 0.0 110.204 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.62 -33.95 67.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.078 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . 0.478 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 1.3 tt -70.84 -31.33 45.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.239 0.542 . . . . 0.0 110.057 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.17 -42.44 62.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.329 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 6.2 p -68.15 -32.14 72.2 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.823 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . 0.478 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 74.6 t80 -56.2 -57.68 11.18 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.565 1.174 . . . . 0.0 109.89 176.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.77 -30.56 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.153 0 CA-C-N 113.049 -1.887 . . . . 0.0 110.724 -176.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -70.67 -35.94 73.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.369 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.88 -25.97 61.27 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.245 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 1.7 mp -81.42 -19.07 43.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 110.612 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.435 HD21 HG12 ' A' ' 815' ' ' VAL . 3.7 mt . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.145 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . 0.407 ' SD ' ' HG3' ' A' ' 776' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.289 0.09 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . 0.557 ' OE1' ' HG2' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -75.95 -55.69 5.37 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.639 0.257 . . . . 0.0 111.391 -177.176 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.557 ' HG2' ' OE1' ' A' ' 776' ' ' GLN . 19.3 mm-40 -64.98 -63.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.601 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -82.1 65.02 7.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.18 0.514 . . . . 0.0 110.95 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 4.2 p -73.3 155.02 7.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.437 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' A' ' 780' ' ' LEU . 0.0 OUTLIER -65.26 135.71 55.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.744 -179.601 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -103.45 167.35 9.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.928 ' HG ' HG13 ' A' ' 783' ' ' ILE . 0.5 OUTLIER -119.72 -41.1 2.7 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.977 175.063 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.928 HG13 ' HG ' ' A' ' 782' ' ' LEU . 1.1 mt -88.46 42.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.498 0.666 . . . . 0.0 110.628 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -26.5 56.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.595 0.712 . . . . 0.0 109.136 174.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.626 ' HB ' ' HB2' ' A' ' 789' ' ' GLN . 0.0 OUTLIER -147.39 -47.76 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.044 176.074 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . 0.516 ' HB2' ' HA ' ' A' ' 783' ' ' ILE . 0.7 OUTLIER 53.8 -114.01 0.83 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.426 172.421 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . 0.459 ' H ' ' HB3' ' A' ' 786' ' ' GLN . 1.6 mp -78.84 -3.38 44.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.605 -171.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -94.91 -1.77 51.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.96 0.41 . . . . 0.0 111.031 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . 0.626 ' HB2' ' HB ' ' A' ' 785' ' ' VAL . 1.6 mt-30 -139.41 52.11 1.75 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.963 -178.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -153.8 -175.04 5.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.309 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . 0.436 ' HB3' ' H ' ' A' ' 792' ' ' VAL . 2.3 mm-40 53.61 -149.6 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.291 0.994 . . . . 0.0 111.787 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . 0.436 ' H ' ' HB3' ' A' ' 791' ' ' GLU . 19.2 m 40.73 49.09 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.524 1.13 . . . . 0.0 112.954 177.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.45 60.52 3.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.378 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -112.34 140.83 46.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.065 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . 0.455 ' HA ' ' HD2' ' A' ' 796' ' ' PRO . 1.1 p -161.93 118.38 1.31 Allowed Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.562 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 795' ' ' SER . 19.6 Cg_endo -60.3 133.99 52.81 Favored 'Trans proline' 0 CA--C 1.517 -0.337 0 C-N-CA 122.745 2.297 . . . . 0.0 112.733 176.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.463 ' H ' ' HG ' ' A' ' 797' ' ' LEU . 0.2 OUTLIER -87.57 151.85 22.66 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.166 -0.924 . . . . 0.0 110.498 -177.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -66.31 -12.63 58.75 Favored Glycine 0 C--N 1.321 -0.303 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.353 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 89.82 10.04 65.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.998 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . 0.495 ' HB3' ' HB3' ' A' ' 803' ' ' ALA . 8.4 t70 -146.08 100.9 3.45 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.443 ' HB2' HD21 ' A' ' 889' ' ' LEU . 4.9 mp0 -62.21 -37.58 85.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.22 -175.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -46.98 81.4 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.764 0.316 . . . . 0.0 110.502 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 800' ' ' ASP . . . -63.96 -42.27 97.33 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.457 178.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -56.81 -54.93 40.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.356 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.801 ' HB3' ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -52.86 -48.48 67.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.362 178.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -65.16 -57.71 7.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.543 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -66.01 -33.97 77.02 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -170.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 54.2 p -77.39 -15.61 59.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.061 0.458 . . . . 0.0 111.167 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 81.79 5.3 89.93 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.694 -175.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -80.58 -6.54 58.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.598 -0.301 . . . . 0.0 110.578 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.801 ' HD1' ' HB3' ' A' ' 805' ' ' LEU . 8.6 t80 -56.92 -34.95 68.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.195 176.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.37 -46.03 89.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.625 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -39.24 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.352 0.596 . . . . 0.0 109.823 178.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.482 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 82.8 t80 -59.31 -41.93 90.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.61 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 811' ' ' TYR . 29.6 m -96.07 7.3 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.699 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -95.13 -70.48 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.971 0.415 . . . . 0.0 111.044 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . 0.422 HG21 HG11 ' A' ' 847' ' ' VAL . 4.1 t -91.24 -33.67 15.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.902 -173.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.482 ' HB ' ' O ' ' A' ' 814' ' ' PHE . 86.0 t -59.19 -56.17 38.79 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -171.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 818' ' ' VAL . 13.9 Cg_endo -57.83 -38.41 92.79 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 121.873 1.715 . . . . 0.0 112.532 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.43 -32.96 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.809 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.39 -37.33 82.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.989 0.423 . . . . 0.0 110.014 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.92 -44.62 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.853 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.28 -39.78 76.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.069 174.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.683 ' HB3' HG21 ' A' ' 840' ' ' THR . 0.0 OUTLIER -66.01 -48.43 71.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.304 178.249 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 825' ' ' LEU . 7.1 mt -49.66 -46.8 50.13 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.108 0.48 . . . . 0.0 110.233 175.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -60.76 -43.72 97.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.965 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 63.7 m -67.98 -45.64 73.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.512 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.662 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 28.5 mm-40 -69.21 -28.1 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.974 0.416 . . . . 0.0 110.501 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . 0.809 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -69.07 -37.58 78.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.694 176.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.85 72.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.254 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.84 -9.11 44.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.434 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.82 34.4 17.16 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.412 -175.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -87.34 73.8 9.56 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.738 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 88.9 m-85 -60.4 -21.34 62.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.724 -175.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.71 82.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.312 0.577 . . . . 0.0 109.793 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -79.12 -31.83 44.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.394 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.809 HD11 ' HA ' ' A' ' 829' ' ' ALA . 0.2 OUTLIER -59.31 -45.72 90.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.187 173.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.58 94.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.521 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -57.12 -47.26 81.55 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.126 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . 0.683 HG21 ' HB3' ' A' ' 824' ' ' ARG . 0.3 OUTLIER -72.88 -41.86 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.718 -178.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . 0.684 ' O ' ' HG3' ' A' ' 845' ' ' LYS . . . -58.62 -47.02 85.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.477 177.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . 0.667 ' HA ' ' HD3' ' A' ' 845' ' ' LYS . 3.0 t60 -58.29 -44.0 88.3 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.469 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.485 ' HD3' ' HA ' ' A' ' 843' ' ' ARG . 0.0 OUTLIER -61.95 -40.55 95.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.749 179.315 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.41 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -64.29 -41.54 96.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.437 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' A' ' 841' ' ' ALA . 29.2 mtpt -55.57 -48.86 74.12 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -62.13 -45.41 96.11 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.626 -0.715 . . . . 0.0 113.415 -177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.569 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 17.7 m -73.84 -37.34 48.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 117.321 0.561 . . . . 0.0 111.307 -178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.478 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 0.9 OUTLIER -68.3 -42.15 79.87 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 177.377 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.27 -26.89 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.998 0.428 . . . . 0.0 110.486 174.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . 0.534 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 0.1 OUTLIER -62.87 -45.04 94.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.264 177.114 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -85.77 -7.66 58.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.556 176.222 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.91 39.16 0.67 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.92 0.867 . . . . 0.0 110.461 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.43 75.03 10.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.418 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.757 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 21.2 t -50.35 -58.59 9.31 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -173.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.757 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 51.8 Cg_exo -56.25 -43.13 59.01 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.205 1.937 . . . . 0.0 112.674 -177.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.02 -45.91 78.18 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.812 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 861' ' ' GLU . 0.0 OUTLIER -63.2 -41.23 99.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.497 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -58.12 -40.71 81.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.617 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.43 -42.56 92.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.012 176.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 22.6 m -66.75 -35.09 79.29 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.736 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . 0.635 ' HG2' ' HE3' ' A' ' 845' ' ' LYS . 8.1 mt-10 -66.21 -48.92 69.04 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.39 0.614 . . . . 0.0 110.168 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . 0.583 ' HB ' ' HE2' ' A' ' 878' ' ' TYR . 1.9 m -63.68 -31.85 73.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.298 176.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -42.19 99.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.337 175.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -57.84 -44.62 86.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.971 0.415 . . . . 0.0 110.013 176.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.44 -46.98 86.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.006 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.71 -31.97 72.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.598 0.237 . . . . 0.0 111.084 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 22.1 mt -72.98 -41.74 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.43 -30.89 71.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.362 177.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 4.3 tt0 -84.05 -20.06 33.33 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.913 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.29 40.58 6.51 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.764 -174.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -83.35 77.78 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.452 -0.794 . . . . 0.0 108.928 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.646 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 2.6 t -49.2 -55.37 21.7 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.818 -173.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.646 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.2 Cg_exo -54.52 -43.63 57.07 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.2 1.933 . . . . 0.0 112.263 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -66.71 -39.16 93.6 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.087 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.512 ' O ' HG13 ' A' ' 879' ' ' ILE . 71.0 mt -57.66 -58.5 5.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.469 0.176 . . . . 0.0 110.895 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 6.8 pt-20 -65.04 -36.97 86.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.991 -176.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -38.21 90.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.886 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.583 ' HE2' ' HB ' ' A' ' 862' ' ' THR . 2.5 m-85 -69.99 -40.71 75.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.663 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 875' ' ' ILE . 20.8 mt -64.6 -30.81 51.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.952 0.406 . . . . 0.0 110.062 175.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 28.1 m -67.65 -37.58 82.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.189 175.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -72.75 -32.46 65.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.57 -34.01 55.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.466 0.651 . . . . 0.0 109.865 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.45 -38.27 71.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.308 -177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . 0.466 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 3.0 p -73.7 -29.99 62.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.396 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -61.45 -57.39 12.4 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.157 0.979 . . . . 0.0 109.297 174.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.565 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.9 OUTLIER -58.65 -36.47 60.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 CA-C-N 114.062 -1.426 . . . . 0.0 109.734 178.173 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 0.0 OUTLIER -57.85 -43.85 86.16 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.526 177.595 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.19 -18.65 41.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.191 -176.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 801' ' ' GLU . 85.9 mt -86.81 -15.2 39.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.109 178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 33.6 mt . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.502 174.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . 0.728 ' HG2' ' HA ' ' A' ' 779' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.883 0.373 . . . . 0.0 110.824 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.53 -53.85 0.46 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.14 0.495 . . . . 0.0 110.033 177.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -53.87 5.48 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 174.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -90.34 76.17 6.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.217 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . 0.728 ' HA ' ' HG2' ' A' ' 775' ' ' MET . 4.0 p -78.93 -28.15 13.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.187 -175.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . 0.491 ' HB2' ' H ' ' A' ' 781' ' ' GLN . 0.5 OUTLIER 55.43 -101.07 0.12 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.616 178.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . 0.491 ' H ' ' HB2' ' A' ' 780' ' ' LEU . 0.6 OUTLIER -116.57 138.38 51.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 111.292 -175.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.93 ' HG ' HG13 ' A' ' 783' ' ' ILE . 1.2 pt? -64.15 -42.5 96.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.058 174.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.93 HG13 ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -157.46 -136.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.195 174.403 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.51 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 3.2 mp0 -101.31 -19.46 15.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.051 0.453 . . . . 0.0 110.547 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.571 HG23 HD12 ' A' ' 783' ' ' ILE . 0.1 OUTLIER -103.87 78.03 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -176.654 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -76.81 56.53 1.19 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.859 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . 0.472 ' HB3' ' H ' ' A' ' 788' ' ' ALA . 0.3 OUTLIER -176.21 -95.24 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.408 178.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . 0.472 ' H ' ' HB3' ' A' ' 787' ' ' LEU . . . -167.57 142.67 3.86 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.536 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.93 -109.04 0.36 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 173.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -107.14 -170.04 1.64 Allowed 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 171.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -148.5 138.61 22.43 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.35 57.8 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.147 0.499 . . . . 0.0 110.278 177.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.9 -46.36 45.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.456 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 49.04 -137.16 1.0 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.996 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . 0.56 ' HB2' ' HD3' ' A' ' 796' ' ' PRO . 0.5 OUTLIER -121.27 -55.8 0.03 OUTLIER Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.892 171.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.56 ' HD3' ' HB2' ' A' ' 795' ' ' SER . 89.9 Cg_endo -99.16 -162.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 122.684 2.256 . . . . 0.0 111.257 171.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.582 HD13 ' HG2' ' A' ' 801' ' ' GLU . 4.6 mt -91.92 -17.24 25.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.255 0.55 . . . . 0.0 109.938 175.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 83.25 -65.28 4.16 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.877 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 160.13 164.77 15.78 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . 0.421 ' HB3' ' HB3' ' A' ' 803' ' ' ALA . 4.4 m-20 61.46 49.18 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.383 0.611 . . . . 0.0 110.596 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.582 ' HG2' HD13 ' A' ' 797' ' ' LEU . 56.2 mp0 -63.44 -34.94 78.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.758 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 806' ' ' HIS . 15.0 p-10 -65.18 -32.76 74.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.534 176.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 800' ' ' ASP . . . -73.05 -37.87 66.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.915 0.388 . . . . 0.0 110.245 177.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -47.05 82.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.556 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -67.09 -31.55 72.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.418 178.679 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 802' ' ' ASN . 3.5 t-160 -67.43 -40.42 85.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.655 176.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -74.17 -40.19 62.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.53 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 11.7 m -76.17 3.62 10.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 75.49 20.18 78.77 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.94 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.597 ' HB3' HD22 ' A' ' 851' ' ' LEU . 12.4 m-85 -85.0 -12.58 52.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.81 0.338 . . . . 0.0 110.799 -178.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.417 ' O ' HG22 ' A' ' 815' ' ' VAL . 0.3 OUTLIER -60.95 -30.04 70.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.914 -178.432 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . 0.599 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -61.33 -36.0 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.063 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 2.4 mp -85.3 -35.07 21.72 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.363 0.601 . . . . 0.0 110.234 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -56.03 -58.99 5.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.021 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 811' ' ' TYR . 27.5 m -82.86 3.01 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.937 0.399 . . . . 0.0 111.348 -176.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . 0.599 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 3.2 t70 -96.05 -57.23 2.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.682 -175.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.3 t -106.54 -30.72 8.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.437 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 94.4 t -58.89 -59.18 14.62 Favored Pre-proline 0 CA--C 1.539 0.526 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -171.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.685 ' HA ' HG22 ' A' ' 822' ' ' VAL . 30.4 Cg_endo -64.53 -29.84 61.51 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 121.743 1.629 . . . . 0.0 112.821 -178.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.12 -40.95 67.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.116 0.484 . . . . 0.0 109.939 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -68.56 -43.13 77.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.828 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.685 HG22 ' HA ' ' A' ' 819' ' ' PRO . 34.7 m -67.75 -31.6 53.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.695 0.283 . . . . 0.0 111.157 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -65.45 -45.96 81.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 11.3 mtp180 -64.47 -37.25 86.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.356 176.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 822' ' ' VAL . 0.8 OUTLIER -54.61 -45.74 73.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.156 175.035 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -37.53 87.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.425 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.1 m -65.32 -46.64 79.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.7 mm-40 -71.14 -25.66 62.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.946 0.403 . . . . 0.0 110.471 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.36 84.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.361 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.26 -24.66 65.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.282 0.563 . . . . 0.0 110.511 175.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 18.9 m -81.15 -11.53 59.43 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.004 176.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.49 29.02 17.04 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.355 0.662 . . . . 0.0 110.476 -179.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -86.87 78.88 8.95 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.604 0.716 . . . . 0.0 109.755 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.604 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 61.1 m-85 -60.37 -23.84 64.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.187 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.89 85.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.208 0.528 . . . . 0.0 110.1 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -76.65 -34.73 58.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.716 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.604 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.1 OUTLIER -57.09 -51.14 70.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.031 175.244 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.28 -46.0 91.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.165 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -47.61 85.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.659 0.266 . . . . 0.0 111.655 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 843' ' ' ARG . 1.6 m -72.68 -24.96 61.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.741 0.305 . . . . 0.0 111.119 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.25 86.51 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 174.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -61.71 -44.34 97.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.46 ' O ' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -55.23 -51.44 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.668 177.456 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.414 ' HA ' HG22 ' A' ' 847' ' ' VAL . 1.1 mm? -67.38 -39.63 85.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.977 -176.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -61.54 -45.01 95.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.124 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.86 -47.17 68.14 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.575 -0.738 . . . . 0.0 112.852 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.703 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 16.9 m -66.17 -40.72 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 117.225 0.512 . . . . 0.0 111.526 -177.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -65.75 -45.8 81.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.01 70.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.235 0.541 . . . . 0.0 110.338 176.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -43.33 76.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.615 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 8.9 mt -77.88 -6.03 52.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.565 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.599 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 2.0 m-80 85.75 9.48 0.3 Allowed 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.1 0.875 . . . . 0.0 110.402 175.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 853' ' ' LEU . 15.5 mt -78.23 81.21 4.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.622 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.509 HG23 HD11 ' A' ' 797' ' ' LEU . 9.6 t -56.67 -56.33 33.69 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.233 -178.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.518 ' HG2' ' OH ' ' A' ' 885' ' ' TYR . 10.5 Cg_endo -56.33 -37.72 96.42 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.323 2.015 . . . . 0.0 113.02 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.48 -50.58 54.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.575 -0.822 . . . . 0.0 111.416 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -38.85 77.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . 0.464 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 1.2 tt0 -55.66 -41.8 74.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.837 176.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.2 -44.86 94.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.998 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 3.6 m -62.43 -36.76 83.4 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.951 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . 0.464 ' HG3' ' HA ' ' A' ' 858' ' ' GLN . 2.0 mt-10 -62.97 -51.54 66.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.09 0.471 . . . . 0.0 110.553 178.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . 0.517 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -62.22 -33.29 74.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.77 177.757 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.462 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -61.97 -42.67 99.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.214 175.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 867' ' ' ILE . 46.3 mt-10 -59.46 -42.09 91.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.15 -33.6 76.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.483 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 30.7 mt -72.01 -34.14 68.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.727 0.299 . . . . 0.0 110.519 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 864' ' ' GLU . 11.7 mt -67.3 -45.18 86.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.992 175.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.617 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -60.15 -37.94 81.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.377 177.569 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.617 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.2 OUTLIER -82.27 -13.2 57.4 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.992 -176.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp 65.01 44.66 3.35 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.279 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . 0.577 ' O ' HG12 ' A' ' 875' ' ' ILE . 6.0 t70 -100.5 93.09 5.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.394 177.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.663 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 4.1 t -54.11 -52.85 64.9 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.898 -178.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.663 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.4 Cg_exo -54.53 -39.41 88.34 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.234 1.956 . . . . 0.0 112.467 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -62.46 -40.35 98.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.999 -0.62 . . . . 0.0 111.993 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 871' ' ' ASP . 43.9 mm -58.4 -53.15 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.443 0.163 . . . . 0.0 110.82 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -39.5 87.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.599 0.238 . . . . 0.0 110.878 -178.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -66.22 -44.05 84.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.179 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.517 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 2.4 m-85 -75.44 -32.39 60.66 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.303 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 70.8 mt -67.41 -39.11 82.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.255 175.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.2 p -70.12 -30.8 68.09 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.273 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -36.19 72.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.116 0.484 . . . . 0.0 110.351 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -32.53 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.831 173.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 1.1 t70 -73.29 -45.98 52.39 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.574 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 9.9 p -64.16 -30.4 71.46 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.11 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . 0.518 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 26.2 t80 -60.37 -58.19 9.55 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 122.023 0.916 . . . . 0.0 109.749 174.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.703 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.5 OUTLIER -66.49 -35.67 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.414 -177.246 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 0.5 OUTLIER -55.23 -47.62 75.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.181 176.16 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 3.5 m -70.89 -31.38 68.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 38.3 mt -69.9 -53.01 19.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.902 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.335 -0.841 . . . . 0.0 110.794 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . 0.428 ' HG3' ' N ' ' A' ' 776' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 110.44 -0.208 . . . . 0.0 110.44 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 775' ' ' MET . 0.0 OUTLIER 63.03 47.18 4.35 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.591 0.557 . . . . 0.0 111.563 176.499 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 170.78 -56.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -129.16 100.71 5.72 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.409 -1.269 . . . . 0.0 108.36 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . 0.857 HG22 ' HG ' ' A' ' 780' ' ' LEU . 2.1 p -52.74 -71.87 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.204 -177.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . 0.857 ' HG ' HG22 ' A' ' 779' ' ' VAL . 0.1 OUTLIER -169.52 -80.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.559 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . 0.66 ' H ' HD12 ' A' ' 780' ' ' LEU . 7.1 mp0 -142.84 145.88 33.6 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.638 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 1.1 pt? -63.77 -50.22 69.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.451 0.643 . . . . 0.0 109.527 175.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.638 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -149.72 -90.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 173.6 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.508 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 4.5 mt-10 -151.46 -69.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.113 172.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.409 HG11 ' HG2' ' A' ' 789' ' ' GLN . 0.0 OUTLIER -140.48 86.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.302 176.07 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -75.48 -64.91 0.97 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.07 -176.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 787' ' ' LEU . 0.6 OUTLIER -100.56 45.79 0.97 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.073 0.463 . . . . 0.0 109.95 -179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -161.02 172.88 16.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.342 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . 0.409 ' HG2' HG11 ' A' ' 785' ' ' VAL . 6.4 mm100 58.45 49.83 10.19 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.64 0.587 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.39 -171.51 2.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.138 178.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -179.17 114.27 0.06 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.434 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 2.6 p -110.86 115.29 49.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.567 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.19 117.91 9.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . 0.489 ' O ' ' HD3' ' A' ' 796' ' ' PRO . 0.0 OUTLIER -78.64 130.46 35.9 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 176.692 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.61 101.2 34.93 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-O 120.879 0.371 . . . . 0.0 111.037 -176.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 794' ' ' GLU . 5.2 Cg_exo -79.71 45.13 1.86 Allowed 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 123.347 2.698 . . . . 0.0 111.837 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 2.3 mt 70.86 -52.78 0.67 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.623 0.769 . . . . 0.0 111.738 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 75.38 10.43 84.47 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.278 -0.487 . . . . 0.0 112.624 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 97.82 21.79 17.7 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.031 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -144.95 91.79 2.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.039 0.447 . . . . 0.0 110.972 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -66.68 -46.48 75.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.673 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.11 -44.28 97.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.257 -177.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.86 90.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.017 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -62.52 -41.85 99.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.775 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 814' ' ' PHE . 2.0 tp -65.42 -33.88 76.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.689 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -76.58 -36.21 57.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.576 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.29 80.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.484 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.37 -13.22 59.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 110.789 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 75.52 16.82 80.4 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.777 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.617 ' HB3' HD22 ' A' ' 851' ' ' LEU . 1.1 m-85 -92.83 10.0 32.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.022 0.439 . . . . 0.0 110.846 -177.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.73 -33.87 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.359 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -62.27 -43.51 98.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.836 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -36.1 77.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.123 0.487 . . . . 0.0 110.314 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.583 ' HB2' HD11 ' A' ' 805' ' ' LEU . 46.3 t80 -60.0 -46.92 87.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.985 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 23.3 m -87.46 -0.2 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 111.609 -177.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 9.9 t70 -95.62 -63.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.186 0.517 . . . . 0.0 110.615 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 4.0 m -79.17 -49.33 12.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.654 -172.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.789 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 39.8 t -56.68 -61.18 7.31 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -168.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.789 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.9 Cg_exo -59.72 -40.65 62.43 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.771 1.647 . . . . 0.0 112.144 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.99 -51.36 59.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.994 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.6 -32.82 72.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.727 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 2.2 t -63.14 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.843 0.354 . . . . 0.0 110.402 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -65.11 -41.56 94.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.391 176.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.1 OUTLIER -65.54 -37.36 86.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.796 0.332 . . . . 0.0 110.114 176.4 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -44.33 83.16 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.904 174.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -56.87 -44.83 82.63 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.463 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 4.2 m -61.92 -45.64 92.82 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.229 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 5.3 mm-40 -79.64 -25.74 41.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.403 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.48 -44.15 88.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.587 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.73 -24.43 65.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.259 0.552 . . . . 0.0 110.669 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 45.6 m -83.17 -14.42 53.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.861 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.91 31.99 8.9 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.529 0.681 . . . . 0.0 110.122 -176.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -88.24 74.25 8.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.451 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.573 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 75.8 m-85 -62.53 -26.73 68.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.483 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.66 98.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.303 0.573 . . . . 0.0 109.783 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.12 -36.02 61.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.627 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.5 OUTLIER -60.49 -44.36 96.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.401 176.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.47 94.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.51 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -58.7 -47.67 83.73 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.16 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -38.95 68.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.868 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.35 78.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.777 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -69.31 -42.32 75.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -48.49 81.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.318 177.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.541 ' HA ' HG22 ' A' ' 847' ' ' VAL . 8.2 mt -66.01 -44.06 85.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.673 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.495 ' NZ ' ' HA ' ' A' ' 861' ' ' GLU . 27.5 ttmt -54.08 -47.35 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.204 177.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -65.42 -48.52 68.04 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.86 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.753 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 27.3 m -65.61 -44.04 93.82 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.96 0.38 . . . . 0.0 111.391 -176.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -62.36 -41.07 98.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.3 . . . . 0.0 110.333 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.43 96.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.84 176.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -35.68 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.829 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 19.8 mt -80.48 -11.04 59.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.65 0.262 . . . . 0.0 110.479 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.77 26.65 2.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.626 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.519 HD22 ' HE2' ' A' ' 885' ' ' TYR . 0.4 OUTLIER -87.13 84.34 7.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.56 177.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.657 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 1.8 t -53.39 -59.32 9.62 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -173.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.657 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 32.3 Cg_exo -58.58 -40.02 77.66 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.043 1.829 . . . . 0.0 112.194 -177.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -64.25 -45.13 94.4 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.925 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -36.03 82.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 109.988 178.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -59.75 -44.6 93.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.327 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 863' ' ' LEU . 12.3 mt -59.49 -43.46 93.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.315 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 39.3 m -64.82 -30.39 71.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.045 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . 0.495 ' HA ' ' NZ ' ' A' ' 845' ' ' LYS . 9.7 mm-40 -66.07 -53.86 32.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.526 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . 0.494 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -64.83 -38.84 92.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.847 178.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.597 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.5 OUTLIER -57.94 -49.39 76.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.734 0.302 . . . . 0.0 110.548 177.031 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -45.62 75.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.535 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . 0.448 ' O ' ' HG2' ' A' ' 869' ' ' GLU . 3.1 t60 -64.62 -38.18 90.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.688 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . 0.578 HD22 ' HA3' ' A' ' 874' ' ' GLY . 12.9 mt -66.98 -30.31 70.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.889 0.376 . . . . 0.0 110.763 178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.604 ' HA ' HD11 ' A' ' 875' ' ' ILE . 33.5 mt -73.66 -39.26 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.523 ' HD2' ' OE2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.3 -36.39 81.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.391 177.482 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.523 ' OE2' ' HD2' ' A' ' 868' ' ' ARG . 77.3 mm-40 -79.52 -10.56 59.82 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.37 177.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm 61.82 42.87 10.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.992 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -99.58 94.57 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.86 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.494 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.3 t -55.77 -53.94 57.34 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.597 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 9.9 Cg_endo -52.45 -45.02 42.65 Favored 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.42 2.08 . . . . 0.0 112.768 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . 0.578 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -62.93 -43.95 98.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.933 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 867' ' ' ILE . 59.1 mt -59.38 -48.26 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.624 0.249 . . . . 0.0 110.626 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -57.64 -52.35 65.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.295 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -58.64 -43.33 89.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.168 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.597 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 8.4 m-85 -71.09 -38.17 72.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.798 -176.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 70.2 mt -60.87 -45.36 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.966 0.412 . . . . 0.0 109.915 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 10.6 m -65.97 -29.26 69.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.13 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.26 -32.24 66.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.039 0.447 . . . . 0.0 110.256 177.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 17.7 mt -73.32 -32.7 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.215 0.531 . . . . 0.0 109.948 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.79 -41.96 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.2 p -70.06 -30.5 67.77 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.042 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . 0.519 ' HE2' HD22 ' A' ' 853' ' ' LEU . 16.9 t80 -59.55 -58.57 8.01 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.838 0.827 . . . . 0.0 110.312 177.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.556 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 8.3 p -68.5 -31.83 52.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.915 -174.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -65.3 -39.23 92.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.01 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 5.4 p -83.52 -19.61 35.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.941 0.401 . . . . 0.0 110.842 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.26 -11.34 38.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.56 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 24.5 mt . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.574 -0.727 . . . . 0.0 111.015 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 775' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 121.534 0.683 . . . . 0.0 110.542 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.47 -30.84 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.036 -0.415 . . . . 0.0 111.996 -174.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -101.95 9.78 40.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.09 0.472 . . . . 0.0 111.588 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -147.39 -67.42 0.26 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.445 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . 0.418 ' HB ' ' H ' ' A' ' 780' ' ' LEU . 3.5 t 60.97 -97.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.273 -176.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . 0.418 ' H ' ' HB ' ' A' ' 779' ' ' VAL . 0.3 OUTLIER -161.28 -69.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 176.724 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -165.47 176.58 8.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 174.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.829 ' HG ' HG12 ' A' ' 783' ' ' ILE . 15.2 tp -103.9 -72.88 0.69 Allowed 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.829 HG12 ' HG ' ' A' ' 782' ' ' LEU . 2.1 pt -146.67 31.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.483 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 783' ' ' ILE . 1.5 tt0 76.77 -53.61 0.58 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.793 -177.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.649 HG11 ' HB2' ' A' ' 789' ' ' GLN . 0.0 OUTLIER -110.11 85.7 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.457 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.8 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . 0.595 ' HA ' HD23 ' A' ' 782' ' ' LEU . 2.9 mt-30 -49.2 -47.96 45.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.644 -1.162 . . . . 0.0 112.728 -173.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 10.0 tp -105.21 -62.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.502 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -159.02 173.01 17.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.14 0.495 . . . . 0.0 111.698 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . 0.649 ' HB2' HG11 ' A' ' 785' ' ' VAL . 0.2 OUTLIER -137.7 144.92 41.99 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.088 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.413 ' N ' ' HG2' ' A' ' 789' ' ' GLN . 0.0 OUTLIER -63.01 178.02 0.52 Allowed 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.617 0.722 . . . . 0.0 111.79 -178.524 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.56 -123.55 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.676 -174.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -62.99 121.34 11.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.364 0.602 . . . . 0.0 112.099 -174.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.48 137.71 53.0 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . 0.559 ' CD ' ' H ' ' A' ' 794' ' ' GLU . 2.1 mp0 -48.85 122.34 5.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 123.71 0.631 . . . . 0.0 111.044 -178.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . 0.676 ' H ' ' HD2' ' A' ' 796' ' ' PRO . 0.0 OUTLIER -123.89 -52.1 0.03 OUTLIER Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.277 -175.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.676 ' HD2' ' H ' ' A' ' 795' ' ' SER . 92.5 Cg_endo -77.36 175.8 10.86 Favored 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.146 1.897 . . . . 0.0 112.954 -177.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.547 ' HA ' ' HB2' ' A' ' 804' ' ' GLN . 0.7 OUTLIER -66.8 -43.3 84.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.119 177.372 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 74.78 -81.83 0.86 Allowed Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.102 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -160.15 26.15 0.31 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . 0.538 ' HB3' ' HB3' ' A' ' 803' ' ' ALA . 4.9 t70 -153.27 102.81 2.64 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.212 0.53 . . . . 0.0 110.026 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.483 ' HG3' HD11 ' A' ' 889' ' ' LEU . 0.0 OUTLIER -64.65 -47.02 80.02 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.592 -178.42 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.27 -47.09 79.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.663 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . 0.591 ' HA ' ' CD2' ' A' ' 806' ' ' HIS . . . -58.68 -49.91 75.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.172 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . 0.547 ' HB2' ' HA ' ' A' ' 797' ' ' LEU . 0.0 OUTLIER -60.43 -43.95 96.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.946 0.403 . . . . 0.0 110.213 178.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -62.19 -45.21 94.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.03 -175.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.591 ' CD2' ' HA ' ' A' ' 803' ' ' ALA . 2.3 p80 -80.09 -15.56 56.89 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.915 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -70.18 -39.74 75.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.699 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -18.74 59.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.019 0.438 . . . . 0.0 110.83 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 89.05 32.31 10.89 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.288 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.747 ' HB3' HD22 ' A' ' 851' ' ' LEU . 15.6 m-85 -100.53 11.05 40.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.815 0.341 . . . . 0.0 110.779 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.451 ' HD1' ' HA ' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -57.37 -41.68 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.876 -178.444 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.8 89.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.504 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -31.18 62.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.417 . . . . 0.0 110.487 -177.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.618 ' CE1' HG22 ' A' ' 886' ' ' VAL . 33.9 t80 -61.41 -52.58 64.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.002 -178.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.8 m -80.22 -2.12 5.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.844 0.354 . . . . 0.0 111.425 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -93.26 -65.37 1.0 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.045 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.07 -41.94 21.81 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -169.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.683 HG11 HG21 ' A' ' 886' ' ' VAL . 6.7 t -63.43 -57.76 18.64 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -168.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.674 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.4 Cg_exo -53.89 -42.8 63.63 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.162 1.908 . . . . 0.0 112.966 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.417 ' HA ' ' HB2' ' A' ' 823' ' ' LYS . 0.2 OUTLIER -83.19 -27.28 30.12 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.672 -175.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.91 -38.42 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 175.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.56 -38.91 83.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.776 173.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 826' ' ' TYR . 0.1 OUTLIER -54.83 -49.36 71.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.529 172.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -39.59 94.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.844 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.484 HD23 HD12 ' A' ' 837' ' ' LEU . 0.6 OUTLIER -55.05 -43.59 73.92 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.12 0.486 . . . . 0.0 109.817 174.171 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 823' ' ' LYS . 3.9 m-85 -60.51 -42.7 96.94 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.571 177.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 1.9 m -70.41 -45.06 66.65 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.463 -176.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.84 -28.02 62.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.497 -177.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.99 91.64 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.03 -38.47 91.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.155 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.75 -9.09 59.6 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 120.871 0.367 . . . . 0.0 111.286 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 18.5 m 64.96 28.89 12.51 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.587 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -85.65 75.11 10.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 173.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -61.53 -29.85 70.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.124 -174.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.1 95.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.136 0.493 . . . . 0.0 109.879 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.47 -36.15 53.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.817 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.566 HD21 HG21 ' A' ' 875' ' ' ILE . 16.7 tp -56.33 -48.04 77.56 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.295 176.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.21 85.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.664 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -60.29 -45.99 91.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . 0.429 ' HB ' ' HG ' ' A' ' 825' ' ' LEU . 0.2 OUTLIER -65.81 -35.19 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.333 . . . . 0.0 111.066 177.394 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.34 -34.72 78.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.99 0.424 . . . . 0.0 110.212 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . 0.537 ' HA ' ' CD ' ' A' ' 845' ' ' LYS . 1.8 t60 -66.83 -40.91 88.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.226 175.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.459 ' O ' HG22 ' A' ' 847' ' ' VAL . 0.5 OUTLIER -60.24 -47.46 85.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.968 175.202 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 844' ' ' LEU . 3.0 mt -62.15 -48.96 77.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.613 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.537 ' CD ' ' HA ' ' A' ' 842' ' ' HIS . 7.6 ptmt -62.28 -31.06 71.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.56 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -71.16 -48.8 30.0 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.415 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.705 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 13.4 m -67.89 -40.64 83.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.66 0.23 . . . . 0.0 111.103 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.427 ' HD1' ' HB2' ' A' ' 853' ' ' LEU . 13.2 m-85 -60.66 -46.73 89.24 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.69 76.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.974 0.416 . . . . 0.0 110.895 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.3 ttt -67.16 -43.66 81.7 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.747 HD22 ' HB3' ' A' ' 810' ' ' TYR . 8.6 mt -78.71 -8.47 58.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.675 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 78.9 26.04 0.48 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.948 0.78 . . . . 0.0 110.391 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.427 ' HB2' ' HD1' ' A' ' 848' ' ' PHE . 77.9 mt -88.66 78.62 7.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.434 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.517 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.3 OUTLIER -54.09 -56.56 24.71 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 115.181 -0.918 . . . . 0.0 113.196 -172.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.517 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 49.6 Cg_exo -56.43 -41.87 71.6 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.048 1.832 . . . . 0.0 112.231 -178.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . 0.427 ' HA2' HD12 ' A' ' 859' ' ' LEU . . . -63.31 -45.48 95.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.966 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -63.23 -39.31 94.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.738 0.304 . . . . 0.0 110.428 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -43.64 95.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.422 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.427 HD12 ' HA2' ' A' ' 856' ' ' GLY . 31.4 mt -60.21 -41.74 93.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.433 ' HA ' ' HB2' ' A' ' 863' ' ' LEU . 35.5 m -68.87 -25.69 64.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.321 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 845' ' ' LYS . 8.8 mm-40 -65.66 -53.44 41.15 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.229 0.538 . . . . 0.0 109.651 175.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -37.39 86.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.829 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.616 HD11 HG12 ' A' ' 879' ' ' ILE . 0.1 OUTLIER -54.05 -53.03 58.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.653 176.468 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.35 -42.99 78.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.571 179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -59.27 -44.64 92.44 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 15.1 mt -66.77 -32.39 73.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.588 ' HA ' HD11 ' A' ' 875' ' ' ILE . 32.6 mt -77.19 -36.73 24.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.552 0.692 . . . . 0.0 109.255 -178.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.02 -36.75 85.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.708 178.044 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 21.2 pt-20 -90.25 -1.93 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.051 0.453 . . . . 0.0 110.635 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.36 43.4 13.51 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.923 176.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -94.08 92.57 7.37 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.664 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 17.6 t -55.47 -54.63 48.98 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.471 -174.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.664 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 55.6 Cg_exo -52.93 -45.17 42.83 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.443 2.096 . . . . 0.0 112.695 -178.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -66.68 -38.24 93.05 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.137 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 867' ' ' ILE . 65.5 mt -57.46 -58.37 6.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.527 0.203 . . . . 0.0 110.75 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -34.96 79.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.861 -177.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -47.84 83.69 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.656 177.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -71.13 -37.67 72.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.833 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.616 HG12 HD11 ' A' ' 863' ' ' LEU . 55.1 mt -62.39 -44.48 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.851 178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 22.3 p -68.8 -30.9 69.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.753 0.311 . . . . 0.0 110.407 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -38.79 71.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.573 177.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . 0.448 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 67.8 mt -65.27 -33.09 61.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.476 0.655 . . . . 0.0 109.878 173.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . 0.552 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 4.5 t70 -71.8 -48.1 48.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.354 -177.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 7.4 p -66.4 -33.19 75.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.11 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 50.9 t80 -51.81 -57.28 9.76 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.382 1.087 . . . . 0.0 109.386 173.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.683 HG21 HG11 ' A' ' 818' ' ' VAL . 1.1 t -65.21 -31.72 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 CA-C-N 113.041 -1.89 . . . . 0.0 110.895 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 6.8 mmtp -56.97 -48.67 77.84 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.775 176.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -26.39 60.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 178.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 814' ' ' PHE . 0.2 OUTLIER -79.2 -16.13 57.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.762 -178.455 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 56.6 mt . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.835 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.897 0.38 . . . . 0.0 110.578 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . 0.503 ' OE1' ' HA ' ' A' ' 776' ' ' GLN . 0.7 OUTLIER -164.94 128.97 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.175 175.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 73.11 19.09 3.72 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.276 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -166.3 -52.71 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.844 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . 0.706 HG12 ' HG ' ' A' ' 780' ' ' LEU . 46.0 t 67.52 -82.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.426 175.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . 0.706 ' HG ' HG12 ' A' ' 779' ' ' VAL . 10.6 mt -120.59 107.61 13.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.61 0.243 . . . . 0.0 110.419 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . 0.446 ' HB2' ' H ' ' A' ' 782' ' ' LEU . 0.2 OUTLIER 56.35 -111.43 0.62 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.137 177.292 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.754 ' HG ' ' N ' ' A' ' 783' ' ' ILE . 0.3 OUTLIER 171.82 -38.84 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 -172.03 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.754 ' N ' ' HG ' ' A' ' 782' ' ' LEU . 1.2 tt -170.17 -179.56 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.406 -2.675 0 CA-C-N 112.512 -2.131 . . . . 0.0 105.557 -176.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -71.68 0.46 Allowed 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 75.5 t -145.91 94.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . 0.481 ' HB3' HG21 ' A' ' 783' ' ' ILE . 8.4 pm0 -76.75 139.63 40.49 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.59 -176.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 786' ' ' GLN . 0.0 OUTLIER 77.38 -47.49 0.5 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.364 172.423 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -77.96 -3.15 40.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -173.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -83.76 41.24 0.78 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -145.83 138.37 25.63 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 175.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -162.65 162.71 27.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.15 -177.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.96 155.53 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.759 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 13.5 t -136.01 125.79 25.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.098 0.475 . . . . 0.0 111.067 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.54 139.84 5.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.23 175.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . 0.415 ' N ' ' HD3' ' A' ' 796' ' ' PRO . 0.0 OUTLIER -148.47 65.4 8.53 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.601 175.619 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 795' ' ' SER . 86.9 Cg_endo -98.31 -148.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.362 2.708 . . . . 0.0 111.729 178.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.574 ' H ' HD22 ' A' ' 797' ' ' LEU . 1.8 mm? -71.94 97.83 1.92 Allowed 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 174.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -122.4 41.57 1.8 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.824 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 108.15 -18.6 33.4 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.183 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -125.63 98.8 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.153 0.501 . . . . 0.0 110.406 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -74.85 -33.6 62.14 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.643 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -43.24 99.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.48 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.79 88.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.003 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -41.21 78.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.515 HD21 ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -62.88 -31.92 73.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.267 0.556 . . . . 0.0 110.343 178.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -68.69 -43.28 76.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.454 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -69.07 -26.52 64.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.851 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.84 -11.77 56.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.432 . . . . 0.0 110.944 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 80.49 13.95 80.84 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.398 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.461 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.1 OUTLIER -89.81 -0.28 57.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.146 0.498 . . . . 0.0 110.118 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.515 ' HD1' HD21 ' A' ' 805' ' ' LEU . 59.5 t80 -64.33 -24.31 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.764 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -61.64 -48.65 79.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.004 175.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -39.59 94.74 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.215 0.531 . . . . 0.0 110.186 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.43 -48.33 71.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.505 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . 0.471 HG12 HD22 ' A' ' 890' ' ' LEU . 34.8 m -93.57 12.02 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.976 0.417 . . . . 0.0 111.435 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -106.59 -59.11 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.68 -40.33 10.79 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -172.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.844 HG11 HG21 ' A' ' 886' ' ' VAL . 21.5 t -59.78 -55.52 44.92 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -169.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.629 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.4 Cg_exo -55.7 -49.14 16.8 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.852 1.701 . . . . 0.0 112.648 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 824' ' ' ARG . 26.1 t70 -61.19 -39.78 91.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.874 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -73.83 -32.21 63.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.464 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 11.5 t -61.8 -51.04 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.812 0.339 . . . . 0.0 110.197 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 820' ' ' ASP . 0.9 OUTLIER -70.58 -25.32 63.02 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.15 177.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -65.44 -46.49 79.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.873 174.145 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.432 HD23 HD23 ' A' ' 837' ' ' LEU . 5.9 mt -56.01 -42.64 76.76 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.258 176.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -58.98 -40.7 85.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.591 175.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 19.7 m -66.17 -45.12 82.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.875 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 5.0 mm-40 -66.2 -33.32 75.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.398 . . . . 0.0 110.329 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . 0.647 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -67.79 -32.48 73.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.497 177.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.53 90.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.264 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.29 -4.41 41.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.284 177.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 56.46 32.15 20.18 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.572 0.749 . . . . 0.0 110.225 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -92.76 76.03 4.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.554 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.572 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 86.1 m-85 -58.31 -29.04 65.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.88 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.33 88.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.329 0.585 . . . . 0.0 110.164 176.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.72 -36.49 50.91 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.647 HD11 ' HA ' ' A' ' 829' ' ' ALA . 0.7 OUTLIER -55.1 -48.35 73.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.979 173.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 842' ' ' HIS . . . -63.62 -37.84 88.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.2 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -62.27 -48.21 80.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.904 0.383 . . . . 0.0 110.615 176.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.0 m -63.24 -46.38 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.861 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.71 -32.61 73.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.996 0.427 . . . . 0.0 111.067 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . 0.447 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 8.1 t60 -67.92 -39.63 83.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.993 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -32.56 71.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.171 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.518 ' HA ' HG22 ' A' ' 847' ' ' VAL . 7.0 mt -68.17 -39.95 82.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.257 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.568 ' HE2' ' HA ' ' A' ' 861' ' ' GLU . 84.6 mttt -50.12 -53.8 24.96 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.177 0.513 . . . . 0.0 110.021 171.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -59.53 -45.85 94.91 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 114.839 -1.073 . . . . 0.0 113.29 -176.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.652 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 20.2 m -71.13 -38.24 70.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 117.28 0.54 . . . . 0.0 111.663 -176.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -67.84 -42.77 80.89 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -65.44 -29.1 69.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.147 0.499 . . . . 0.0 110.322 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 5.0 ttm -64.02 -43.27 96.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.701 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -84.23 -9.46 58.5 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 175.389 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.43 35.08 2.07 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.938 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.67 89.72 7.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.45 -1.25 . . . . 0.0 109.101 175.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.998 HG13 ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -58.91 -51.48 81.6 Favored Pre-proline 0 CA--C 1.543 0.688 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.486 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.998 ' HD3' HG13 ' A' ' 854' ' ' VAL . 29.4 Cg_exo -61.09 -39.59 58.34 Favored 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 121.672 1.581 . . . . 0.0 112.267 -176.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -64.43 -48.45 73.68 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.203 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.45 -35.35 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -57.76 -44.85 86.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.146 0.498 . . . . 0.0 110.364 176.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 863' ' ' LEU . 19.7 mt -62.22 -43.68 98.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.481 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 38.8 m -62.92 -33.39 75.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.358 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . 0.568 ' HA ' ' HE2' ' A' ' 845' ' ' LYS . 1.9 mm-40 -67.82 -53.66 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.692 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . 0.546 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -63.26 -32.61 74.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.958 178.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.635 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -60.34 -48.28 82.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.412 175.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . 0.511 ' HA ' HD12 ' A' ' 867' ' ' ILE . 0.9 OUTLIER -61.47 -34.98 76.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.714 179.28 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -63.3 -43.51 97.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.895 0.379 . . . . 0.0 110.231 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 15.0 mt -65.41 -31.15 72.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.915 0.388 . . . . 0.0 110.399 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.6 ' HA ' HD11 ' A' ' 875' ' ' ILE . 57.4 mt -72.04 -41.73 68.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.534 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -27.89 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.82 177.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -88.08 -7.05 57.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.286 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.33 37.21 25.94 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.14 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -91.58 86.39 6.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.895 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.549 ' O ' ' HG2' ' A' ' 876' ' ' GLU . 0.7 OUTLIER -52.96 -55.2 35.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.757 -173.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.4 Cg_endo -55.69 -38.14 94.63 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.409 2.073 . . . . 0.0 112.158 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.46 -41.79 90.11 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.615 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' A' ' 867' ' ' ILE . 52.7 mt -61.89 -55.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.791 -0.205 . . . . 0.0 110.851 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 6.8 pt-20 -59.82 -38.49 82.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.974 -176.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -37.16 85.29 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.844 0.354 . . . . 0.0 110.747 178.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.635 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -71.65 -34.74 70.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.639 0.257 . . . . 0.0 110.686 179.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 875' ' ' ILE . 50.4 mt -63.6 -41.34 92.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 176.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -28.95 66.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.905 0.383 . . . . 0.0 110.44 178.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.84 -35.92 75.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.456 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 7.1 mt -69.97 -33.39 55.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.388 0.614 . . . . 0.0 109.586 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -69.85 -43.52 71.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.373 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.8 p -69.98 -36.69 75.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.176 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -54.61 -58.28 8.14 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 122.473 1.13 . . . . 0.0 109.878 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.844 HG21 HG11 ' A' ' 818' ' ' VAL . 1.0 OUTLIER -68.68 -32.29 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.235 -176.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -55.93 -42.47 76.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.234 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.27 -19.53 24.0 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.37 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -10.56 56.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.58 0.229 . . . . 0.0 111.524 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 86.2 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.505 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 20.7 ptp . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 76.7 -51.67 0.58 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.54 0.736 . . . . 0.0 111.308 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.475 ' HG3' ' H ' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -69.91 -38.66 76.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.324 0.583 . . . . 0.0 109.79 175.461 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -120.09 53.44 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.891 174.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 7.4 p -92.7 143.09 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.623 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.28 173.16 15.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.037 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.27 164.19 16.01 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.714 ' HB3' ' HA ' ' A' ' 786' ' ' GLN . 19.9 tp -83.34 90.3 7.14 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 174.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.547 HG22 ' HG2' ' A' ' 784' ' ' GLU . 3.2 mt 67.39 -71.4 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.218 -173.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.564 ' HG3' HG22 ' A' ' 785' ' ' VAL . 18.4 pt-20 -162.78 -15.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.849 176.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.811 HG12 ' HB2' ' A' ' 789' ' ' GLN . 0.2 OUTLIER -146.32 105.26 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -177.207 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . 0.714 ' HA ' ' HB3' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -75.26 35.0 0.11 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.553 -174.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 786' ' ' GLN . 0.2 OUTLIER 170.36 -82.05 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 123.332 0.653 . . . . 0.0 109.686 178.586 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -174.19 56.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.301 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . 0.811 ' HB2' HG12 ' A' ' 785' ' ' VAL . 9.5 mp0 -66.15 -28.63 68.94 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.517 -172.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -132.83 169.57 16.54 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.706 0.765 . . . . 0.0 111.506 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -145.74 -165.12 2.11 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.074 -1.421 . . . . 0.0 107.424 176.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.78 119.74 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 169.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.58 38.69 3.56 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.423 0.63 . . . . 0.0 110.721 -178.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -123.32 -62.08 1.36 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.82 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 53.23 71.06 1.52 Allowed Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.68 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.47 -28.44 77.86 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.462 2.108 . . . . 0.0 111.378 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.69 64.66 1.42 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.221 176.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -83.17 54.89 5.01 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.229 -176.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -111.41 -111.18 3.21 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.858 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -106.11 -23.91 12.49 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -172.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.476 ' HB3' HD21 ' A' ' 853' ' ' LEU . 0.0 OUTLIER -48.79 -57.11 6.86 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -172.776 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -72.73 -43.17 63.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -176.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.16 84.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.518 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.63 -47.47 69.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.83 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.576 ' HA ' ' HE1' ' A' ' 810' ' ' TYR . 0.0 OUTLIER -62.04 -36.49 81.75 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.019 -177.715 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -71.53 -40.85 69.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.758 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.63 86.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.578 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 12.6 m -68.5 -19.76 64.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 111.133 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 93.66 -2.01 69.53 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.689 -0.767 . . . . 0.0 114.473 168.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.576 ' HE1' ' HA ' ' A' ' 805' ' ' LEU . 0.2 OUTLIER -91.05 39.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.885 0.842 . . . . 0.0 110.958 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -67.22 -26.93 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.405 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.22 77.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.196 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 18.9 mt -59.34 -32.0 69.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.09 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.539 ' O ' ' HD3' ' A' ' 819' ' ' PRO . 30.9 t80 -63.47 -30.94 71.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.847 -176.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.44 -25.13 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.517 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.25 -52.02 10.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.284 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.76 -46.81 4.81 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 -172.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.71 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 95.0 t -53.83 -56.82 21.42 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -172.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.71 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 38.8 Cg_exo -61.65 -33.73 85.71 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.209 1.94 . . . . 0.0 111.977 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -70.09 -38.91 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.2 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -37.55 82.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.627 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 818' ' ' VAL . 92.2 t -62.8 -43.37 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.154 0.502 . . . . 0.0 109.813 174.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . 0.512 ' HB3' ' HE3' ' A' ' 823' ' ' LYS . 15.7 ttpp -64.65 -38.07 89.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.004 175.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -60.73 -42.29 97.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.227 176.352 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.596 HD23 HD12 ' A' ' 837' ' ' LEU . 4.1 mt -55.71 -45.69 77.84 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 174.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -60.76 -36.64 79.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.803 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 7.2 m -70.11 -42.04 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.737 -175.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.505 ' HB2' HD13 ' A' ' 837' ' ' LEU . 47.8 mm-40 -78.61 -27.64 45.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.854 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . 0.539 ' HA ' HD21 ' A' ' 837' ' ' LEU . . . -69.59 -29.64 67.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.074 173.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.74 79.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.808 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.43 -10.98 53.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.166 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 65.4 29.38 11.42 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.5 0.667 . . . . 0.0 110.115 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -84.93 78.47 9.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.272 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.755 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 52.2 m-85 -57.85 -27.64 63.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.482 -178.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -64.43 -39.19 93.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.226 0.536 . . . . 0.0 109.882 174.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' A' ' 839' ' ' GLN . . . -79.1 -29.35 43.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.748 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.755 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.0 OUTLIER -60.4 -46.57 89.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.039 173.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.35 97.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.458 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 836' ' ' ALA . 6.5 mm100 -60.68 -47.62 85.45 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.014 176.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . 0.441 ' CG2' ' HG ' ' A' ' 825' ' ' LEU . 6.0 m -69.01 -38.18 79.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.26 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.32 82.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.162 0.506 . . . . 0.0 109.873 175.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -70.73 -37.55 73.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.342 176.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -48.06 81.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.27 177.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 844' ' ' LEU . 1.9 mt -66.35 -41.11 90.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -56.73 -45.9 81.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.931 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.25 -48.11 66.8 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.997 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.566 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 23.7 m -68.26 -36.86 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 117.354 0.577 . . . . 0.0 111.329 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.69 -38.3 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -66.05 -32.68 74.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.085 0.469 . . . . 0.0 110.328 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -37.47 74.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.582 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 73.1 mt -80.23 -8.49 59.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.157 175.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 68.25 27.01 6.79 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.559 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' A' ' 801' ' ' GLU . 0.9 OUTLIER -85.66 93.23 8.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.768 179.649 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.648 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 1.7 t -54.06 -58.26 14.35 Favored Pre-proline 0 CA--C 1.534 0.351 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -174.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 47.9 Cg_exo -56.88 -42.44 64.51 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.892 1.728 . . . . 0.0 112.154 -178.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.02 -43.21 93.93 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.059 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . 0.614 ' HD3' ' HA ' ' A' ' 854' ' ' VAL . 0.0 OUTLIER -66.09 -38.94 89.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.712 0.291 . . . . 0.0 110.435 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . 0.492 ' N ' ' HG2' ' A' ' 857' ' ' LYS . 33.9 tt0 -65.46 -38.87 91.09 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.607 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -47.5 85.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.01 176.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 57.0 m -64.4 -36.32 83.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.499 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.0 -49.93 75.73 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.143 0.497 . . . . 0.0 110.314 176.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.7 m -68.4 -35.27 77.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.852 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.575 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -60.13 -45.15 93.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.764 0.316 . . . . 0.0 110.213 175.497 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -37.22 81.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.527 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . 0.759 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 4.1 t60 -63.66 -33.89 76.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.328 174.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . 0.538 HD22 ' HA3' ' A' ' 874' ' ' GLY . 11.3 mt -74.57 -33.34 62.66 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 122.132 -0.355 . . . . 0.0 110.314 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.694 HD12 ' HB3' ' A' ' 837' ' ' LEU . 19.1 mm -66.83 -47.58 82.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.05 174.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.759 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -62.23 -34.68 76.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.705 179.115 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.596 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.8 OUTLIER -88.77 -2.73 58.74 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.408 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . 0.408 ' HD2' ' O ' ' A' ' 867' ' ' ILE . 2.2 mptm? 54.12 48.96 19.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.801 176.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -105.6 96.04 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.714 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.749 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 11.9 t -53.77 -56.98 19.65 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.445 -175.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.749 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.7 Cg_exo -54.34 -45.14 43.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 122.23 1.953 . . . . 0.0 112.42 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . 0.538 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -65.51 -41.3 96.32 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.262 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.521 ' O ' HG13 ' A' ' 879' ' ' ILE . 59.6 mt -56.11 -59.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.412 0.148 . . . . 0.0 110.965 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . 0.551 ' HA ' HD12 ' A' ' 879' ' ' ILE . 10.9 pt-20 -66.53 -34.47 77.98 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.111 -176.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -59.43 -41.31 89.27 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.934 0.397 . . . . 0.0 110.517 177.503 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.575 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 2.5 m-85 -73.96 -32.32 63.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 876' ' ' GLU . 64.7 mt -60.94 -41.69 89.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 173.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 1.5 m -63.15 -36.23 82.93 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.655 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.86 -39.96 87.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.819 0.342 . . . . 0.0 110.638 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 94.9 mt -68.57 -33.93 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.129 0.49 . . . . 0.0 110.208 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . 0.508 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 0.0 OUTLIER -72.67 -42.09 64.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.63 -177.21 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.5 p -66.44 -33.22 75.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.743 176.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . 0.445 ' HE2' HD13 ' A' ' 853' ' ' LEU . 36.0 t80 -62.03 -58.11 9.09 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 122.503 1.144 . . . . 0.0 110.157 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.74 -31.41 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.024 0 CA-C-N 113.637 -1.62 . . . . 0.0 110.743 -176.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 7.4 mtpt -69.72 -28.91 66.21 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.781 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 61.8 m -75.27 -28.74 59.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.473 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.15 -58.85 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.262 177.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--O 1.246 0.885 0 CA-C-O 119.104 -0.474 . . . . 0.0 111.199 -175.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 3.4 tmm? . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -144.58 -63.72 0.36 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.745 0.307 . . . . 0.0 110.747 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -95.42 -41.31 9.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 111.377 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -101.8 74.99 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.088 0.47 . . . . 0.0 110.807 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -44.5 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.042 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 3.2 mt -135.04 -171.46 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.575 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . 0.44 ' HB3' ' H ' ' A' ' 782' ' ' LEU . 4.5 mp0 -116.66 -147.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.312 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 1.046 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 0.5 OUTLIER -139.92 -75.81 0.34 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.325 0.583 . . . . 0.0 109.617 -178.006 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 1.046 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 0.1 OUTLIER -130.45 98.47 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 173.017 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -54.48 -32.8 58.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.305 0.574 . . . . 0.0 110.11 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.76 52.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.383 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . 0.649 ' HA ' ' HB ' ' A' ' 783' ' ' ILE . 2.1 pt20 -40.07 -71.36 0.08 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 114.514 -1.221 . . . . 0.0 113.853 -171.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.4 -1.73 30.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.683 -171.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -143.01 102.29 3.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.833 0.349 . . . . 0.0 111.207 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . 0.495 ' HB2' ' H ' ' A' ' 790' ' ' GLU . 0.0 OUTLIER -99.76 -109.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.294 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.495 ' H ' ' HB2' ' A' ' 789' ' ' GLN . 3.4 pt-20 -102.83 155.98 17.97 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 171.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -132.27 93.96 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.939 0.4 . . . . 0.0 110.65 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 1.3 m -82.29 48.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.129 0.49 . . . . 0.0 111.42 -177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.58 31.53 2.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.375 0.607 . . . . 0.0 110.292 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.69 172.48 7.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.744 -177.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . 0.47 ' HA ' ' HD2' ' A' ' 796' ' ' PRO . 0.6 OUTLIER 70.21 101.81 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.244 0 O-C-N 123.814 0.696 . . . . 0.0 111.784 176.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.47 ' HD2' ' HA ' ' A' ' 795' ' ' SER . 16.3 Cg_endo -59.18 167.22 6.16 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.742 2.295 . . . . 0.0 111.742 172.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.755 HD22 ' HA ' ' A' ' 801' ' ' GLU . 0.1 OUTLIER -75.4 -118.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -175.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . 0.458 ' H ' ' HB2' ' A' ' 797' ' ' LEU . . . 87.31 49.01 4.1 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.346 -177.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 159.35 -58.7 0.32 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.203 -0.522 . . . . 0.0 112.106 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -117.87 82.77 1.89 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.217 0.532 . . . . 0.0 110.262 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.755 ' HA ' HD22 ' A' ' 797' ' ' LEU . 11.4 mp0 -84.1 -22.82 31.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.334 177.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 806' ' ' HIS . 0.0 OUTLIER -62.36 -33.87 75.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.826 -177.734 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.37 73.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.343 . . . . 0.0 111.225 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -39.59 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.491 -177.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 814' ' ' PHE . 0.1 OUTLIER -64.42 -33.69 76.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.655 178.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 802' ' ' ASN . 3.1 t-160 -74.49 -44.64 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.582 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.04 76.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.834 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 3.1 p -80.21 -6.07 57.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.765 0.317 . . . . 0.0 111.134 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 76.39 12.27 84.4 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.574 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.443 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.3 OUTLIER -80.49 -8.41 59.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.891 0.377 . . . . 0.0 110.514 -178.439 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -55.46 -37.91 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.978 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.98 94.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.845 177.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -37.06 83.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.228 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 805' ' ' LEU . 88.7 t80 -63.78 -53.86 44.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.862 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.3 m -72.79 -17.13 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -175.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -74.84 -65.38 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -95.87 -36.89 10.95 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -171.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.654 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 64.4 t -58.1 -56.79 31.3 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -169.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.654 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 31.6 Cg_exo -59.4 -41.98 53.08 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.922 1.748 . . . . 0.0 112.55 -178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.927 ' HA ' ' HD3' ' A' ' 823' ' ' LYS . 0.5 OUTLIER -73.48 -34.31 65.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.751 -177.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -35.27 80.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 175.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.595 ' HA ' HD12 ' A' ' 825' ' ' LEU . 49.9 t -63.9 -46.57 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.992 177.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . 0.927 ' HD3' ' HA ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -70.24 -26.11 63.69 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.348 178.335 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -68.47 -38.08 80.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 172.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 822' ' ' VAL . 4.0 mt -60.57 -41.22 94.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 172.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.835 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 17.0 m-85 -55.1 -42.55 73.06 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.023 173.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 6.0 m -66.6 -45.26 79.76 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.621 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.9 77.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.227 -177.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.87 82.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.819 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -67.15 -26.88 66.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.513 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.86 1.05 52.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.548 0.213 . . . . 0.0 111.338 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.2 m 62.11 32.23 17.53 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.355 0.597 . . . . 0.0 110.692 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.64 70.45 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.332 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -58.45 -38.23 77.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.669 -173.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.85 85.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.347 0.594 . . . . 0.0 110.731 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . 0.622 ' O ' ' HG3' ' A' ' 839' ' ' GLN . . . -80.76 -34.22 34.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.515 0.674 . . . . 0.0 109.293 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.517 HD21 HG21 ' A' ' 875' ' ' ILE . 15.1 tp -59.04 -39.58 82.42 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.788 172.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.41 -50.22 70.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.475 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . 0.622 ' HG3' ' O ' ' A' ' 836' ' ' ALA . 1.7 pp0? -61.26 -34.6 75.43 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.306 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.2 m -71.27 -43.73 66.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.876 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.66 -32.03 73.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.135 0.493 . . . . 0.0 110.334 177.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . 0.814 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 8.7 t60 -59.96 -49.9 75.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.114 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 843' ' ' ARG . 1.3 ttm180 -65.77 -37.33 86.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.956 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.485 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.2 OUTLIER -63.0 -48.36 79.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.169 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.814 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -62.53 -32.16 73.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.463 . . . . 0.0 109.895 177.567 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 845' ' ' LYS . . . -68.26 -49.66 44.46 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.666 177.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 844' ' ' LEU . 20.7 m -64.09 -36.08 75.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-N 116.91 0.355 . . . . 0.0 110.899 -178.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -64.21 -43.41 95.09 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.57 77.42 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 4.6 mtm -59.03 -50.4 74.23 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.51 0.672 . . . . 0.0 110.633 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.02 -1.34 56.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.483 -176.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 73.36 26.47 2.04 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.53 0.681 . . . . 0.0 111.033 174.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.0 mt -86.2 72.59 10.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.256 176.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.694 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 21.9 t -51.39 -54.69 36.01 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.78 -175.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.694 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 46.5 Cg_exo -56.56 -37.75 96.83 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.095 1.863 . . . . 0.0 112.398 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.42 -44.36 84.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.508 178.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 861' ' ' GLU . 4.3 tttm -63.52 -39.43 94.41 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -55.04 -44.51 74.73 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.583 177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 53.6 mt -60.36 -44.47 95.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.306 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 77.3 m -66.71 -35.54 80.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.543 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 857' ' ' LYS . 75.9 mm-40 -60.77 -48.07 83.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.394 0.616 . . . . 0.0 110.076 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.4 m -67.43 -32.33 73.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.604 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.723 ' HA ' HD12 ' A' ' 866' ' ' LEU . 0.2 OUTLIER -60.65 -47.79 84.68 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.204 174.668 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 867' ' ' ILE . 1.7 mt-10 -58.89 -37.59 76.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 0.0 110.224 176.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . 0.485 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 1.9 t60 -62.19 -39.73 93.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.171 175.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 863' ' ' LEU . 11.7 mt -67.45 -43.13 81.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.388 178.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.569 ' HA ' HD11 ' A' ' 875' ' ' ILE . 23.8 mt -64.69 -44.42 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.486 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -61.17 -33.73 73.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.153 -178.599 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 10.9 pt-20 -102.78 12.94 35.56 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.296 -0.561 . . . . 0.0 111.357 -178.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 58.03 38.31 26.69 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.126 -0.943 . . . . 0.0 112.406 173.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -88.1 83.28 7.01 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 173.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.533 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 0.7 OUTLIER -56.82 -54.35 55.12 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.004 -178.071 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.533 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 36.9 Cg_exo -59.1 -34.95 98.87 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.104 1.869 . . . . 0.0 112.395 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . 0.552 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -67.18 -42.13 91.56 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.737 176.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 867' ' ' ILE . 39.6 mt -55.78 -50.32 68.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.139 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -55.53 -48.16 75.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.002 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -49.1 78.54 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.231 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -69.47 -33.77 73.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.42 -44.37 98.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.23 177.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.78 -35.39 80.95 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.891 178.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -71.13 -36.65 72.18 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.985 0.421 . . . . 0.0 111.093 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 80.4 mt -68.93 -34.27 63.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.311 0.577 . . . . 0.0 109.93 174.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.32 -44.72 67.65 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.516 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.9 p -64.61 -40.04 94.79 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.195 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.07 -55.92 27.05 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.776 0.798 . . . . 0.0 109.998 176.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . . . . . . . . . 1.4 t -61.54 -36.19 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.886 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . 0.466 ' HA ' HD12 ' A' ' 890' ' ' LEU . 0.0 OUTLIER -65.55 -38.55 89.92 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -25.69 61.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.996 0.427 . . . . 0.0 110.402 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.96 -24.06 52.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.774 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 887' ' ' LYS . 28.6 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.186 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 10.1 ttp . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.959 0.409 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -130.38 -81.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.449 176.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -43.03 64.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.236 0.541 . . . . 0.0 109.611 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -81.69 60.17 4.51 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.98 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 7.9 p -76.24 -17.17 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.165 176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . 0.495 ' H ' ' HG ' ' A' ' 780' ' ' LEU . 0.0 OUTLIER -81.46 168.6 18.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.804 176.609 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . 0.5 ' HB2' ' H ' ' A' ' 782' ' ' LEU . 27.1 mt-30 -78.86 -103.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.114 0.483 . . . . 0.0 111.091 -177.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.746 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 0.4 OUTLIER -146.7 -57.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.398 -179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.746 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 6.9 mm -132.03 -89.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.427 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 0.1 OUTLIER -165.51 -64.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.999 177.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.0 53.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.509 -176.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 56.67 -92.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.852 -171.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . 0.464 ' O ' ' HB3' ' A' ' 788' ' ' ALA . 0.1 OUTLIER -146.72 83.27 1.59 Allowed 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.604 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 787' ' ' LEU . . . 91.0 146.58 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 O-C-N 124.536 1.148 . . . . 0.0 110.848 173.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.92 4.12 4.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.823 -174.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.407 ' OE2' ' HB1' ' A' ' 788' ' ' ALA . 0.5 OUTLIER -89.38 141.59 28.41 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.15 176.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . 0.457 ' O ' ' HB ' ' A' ' 792' ' ' VAL . 2.6 tt0 -144.59 96.54 2.89 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.841 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' A' ' 791' ' ' GLU . 0.9 OUTLIER 77.22 119.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.821 0.82 . . . . 0.0 110.769 -177.642 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.27 25.29 4.52 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.353 172.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -153.09 139.52 18.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.42 -1.264 . . . . 0.0 108.492 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . 0.528 ' HA ' ' HD3' ' A' ' 796' ' ' PRO . 0.3 OUTLIER -130.83 131.87 23.54 Favored Pre-proline 0 C--N 1.31 -1.132 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.626 -171.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.528 ' HD3' ' HA ' ' A' ' 795' ' ' SER . 6.5 Cg_exo -74.6 91.59 0.98 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.201 2.601 . . . . 0.0 112.111 176.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.587 HD23 ' HG3' ' A' ' 804' ' ' GLN . 0.6 OUTLIER -86.12 150.1 24.66 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.416 178.779 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -119.49 -80.82 0.68 Allowed Glycine 0 C--N 1.316 -0.535 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 174.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -124.08 33.96 3.7 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 174.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . 0.557 ' HB2' ' HB3' ' A' ' 803' ' ' ALA . 1.3 p30 -129.48 58.8 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.185 -0.507 . . . . 0.0 111.173 -175.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.35 -41.34 98.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.108 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . 0.972 ' HA ' HD23 ' A' ' 805' ' ' LEU . 24.7 t30 -59.67 -39.91 86.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.499 177.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 800' ' ' ASP . . . -61.72 -44.29 97.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.201 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . 0.587 ' HG3' HD23 ' A' ' 797' ' ' LEU . 0.0 OUTLIER -62.29 -50.58 71.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.972 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.1 OUTLIER -65.07 -37.22 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.687 -176.206 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.532 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 0.0 OUTLIER -82.55 -16.56 48.13 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.129 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -78.78 -34.44 45.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.749 0.309 . . . . 0.0 110.78 176.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -15.14 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.104 0.478 . . . . 0.0 110.88 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.32 33.91 11.2 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.169 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -106.98 14.3 26.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.128 0.489 . . . . 0.0 110.483 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.467 ' HD1' ' HA ' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -69.25 -32.2 71.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.28 -178.56 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.21 93.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.552 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.7 tt -67.44 -39.65 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.395 177.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -56.6 -38.04 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.82 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . 0.432 HG12 HD22 ' A' ' 890' ' ' LEU . 24.5 m -99.36 1.92 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.701 0.286 . . . . 0.0 111.46 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -96.87 -68.48 0.8 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.113 -176.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.29 -24.51 15.64 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -171.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.644 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 52.2 t -64.81 -54.24 36.99 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -173.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.644 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 51.7 Cg_exo -54.72 -44.35 50.49 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.17 1.913 . . . . 0.0 112.82 -179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.72 -26.97 61.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.374 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -75.66 -32.43 60.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 110.253 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.562 ' HA ' HD12 ' A' ' 825' ' ' LEU . 78.9 t -63.76 -41.42 92.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 170.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.2 OUTLIER -61.42 -37.47 83.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.18 174.095 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.655 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 5.0 ttm105 -59.7 -45.2 92.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.123 176.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 822' ' ' VAL . 12.8 mt -55.72 -43.68 76.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.953 0.406 . . . . 0.0 110.316 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.418 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 20.1 m-85 -59.04 -40.91 86.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.43 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 4.7 m -67.41 -46.19 73.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.493 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.655 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 3.1 mm-40 -71.63 -30.03 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.65 -177.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . 0.425 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -67.45 -38.46 84.53 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.351 176.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.28 -39.39 93.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.354 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 1.4 p -84.68 -7.81 59.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.359 . . . . 0.0 111.117 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.94 31.02 7.34 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.238 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -88.07 78.16 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.255 176.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.684 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 51.7 m-85 -65.77 -18.32 65.25 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.367 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -71.63 -41.53 68.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.278 0.561 . . . . 0.0 109.583 173.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.13 -35.01 56.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.295 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.684 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 5.7 mt -55.63 -48.82 74.32 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.091 174.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.93 98.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.988 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.06 -37.52 87.81 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.373 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . 0.608 ' O ' ' HG2' ' A' ' 843' ' ' ARG . 6.1 m -70.97 -40.51 71.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.723 0.297 . . . . 0.0 110.589 177.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -66.0 -32.83 74.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.995 0.426 . . . . 0.0 110.039 175.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -49.36 78.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.798 175.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 840' ' ' THR . 2.9 ptm85 -68.28 -36.22 79.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.915 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.555 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.1 OUTLIER -69.07 -39.87 78.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 110.26 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -58.28 -44.37 88.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.734 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.78 -45.02 78.14 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.09 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' A' ' 844' ' ' LEU . 30.8 m -69.2 -34.61 64.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 117.006 0.403 . . . . 0.0 111.361 -177.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.465 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 1.6 m-30 -71.52 -40.47 70.08 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.54 -38.19 83.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.24 -44.25 88.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.428 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 84.6 mt -72.42 -9.79 58.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 178.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.3 m-80 79.99 20.98 0.56 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.855 0.722 . . . . 0.0 110.187 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.417 HD11 HD22 ' A' ' 889' ' ' LEU . 0.2 OUTLIER -87.05 78.31 8.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.523 177.056 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.498 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 1.6 t -53.04 -53.24 57.6 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.776 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 19.4 Cg_endo -58.69 -32.89 97.79 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.26 1.973 . . . . 0.0 112.13 177.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.05 -47.52 64.72 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.641 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -34.65 78.54 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -42.16 91.13 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.684 176.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 855' ' ' PRO . 77.8 mt -62.03 -46.68 88.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.345 176.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 35.0 m -61.95 -35.78 79.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.0 -48.8 78.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.079 0.466 . . . . 0.0 110.435 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . 0.433 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 3.6 m -68.78 -30.14 68.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.959 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -60.89 -48.79 80.2 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 173.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . 0.503 ' HA ' HD12 ' A' ' 867' ' ' ILE . 25.2 mt-10 -58.64 -37.41 75.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.394 176.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . 0.59 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 1.0 OUTLIER -64.82 -36.68 85.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.356 176.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 4.5 mt -72.64 -36.05 67.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.867 0.365 . . . . 0.0 110.18 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 864' ' ' GLU . 30.7 mt -65.92 -43.39 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.183 175.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.59 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -65.95 -29.1 69.45 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.456 177.605 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 8.7 tt0 -83.27 -15.58 49.68 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.083 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.27 33.25 19.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.568 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -87.74 82.64 7.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 176.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 876' ' ' GLU . 73.1 t -50.08 -55.63 23.22 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.688 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.3 Cg_endo -54.11 -43.3 59.62 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.187 1.925 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.36 -34.02 83.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.32 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.518 ' O ' HG13 ' A' ' 879' ' ' ILE . 66.2 mt -61.78 -56.52 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 0.9 OUTLIER -60.82 -39.82 90.45 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.643 0.258 . . . . 0.0 110.811 -178.058 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -40.35 95.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.864 178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.433 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.1 OUTLIER -70.11 -32.88 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.811 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 875' ' ' ILE . 69.3 mt -63.77 -40.72 90.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -31.37 68.45 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.442 177.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -69.81 -40.52 75.87 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.219 0.533 . . . . 0.0 110.346 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 81.1 mt -66.41 -33.64 64.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.83 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 8.7 t70 -73.67 -43.31 59.76 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.825 -177.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 4.0 p -63.86 -31.36 72.52 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.005 177.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -51.06 70.46 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.56 0.695 . . . . 0.0 109.46 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.506 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 0.5 OUTLIER -64.7 -31.79 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.345 178.532 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 34.0 mmtm -58.19 -45.41 87.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.809 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -21.13 37.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.568 -176.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . 0.417 HD22 HD11 ' A' ' 853' ' ' LEU . 0.1 OUTLIER -87.75 -22.03 24.8 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 6.5 mt . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.694 -0.67 . . . . 0.0 110.879 177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.192 0 CA-C-O 120.478 0.18 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -63.82 -52.72 58.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.769 0.319 . . . . 0.0 111.393 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -84.63 -67.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.466 -179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -101.88 78.87 1.85 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.333 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -57.83 -84.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.766 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -170.6 -160.16 0.2 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 -95.77 156.99 16.1 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 782' ' ' LEU . 0.2 OUTLIER -74.26 -102.84 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.439 HG22 ' HG2' ' A' ' 784' ' ' GLU . 3.9 mp -90.26 -79.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 168.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.712 ' HG3' HG22 ' A' ' 785' ' ' VAL . 9.9 pt-20 176.06 -49.76 0.01 OUTLIER 'General case' 0 C--N 1.335 -0.052 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.444 173.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.712 HG22 ' HG3' ' A' ' 784' ' ' GLU . 0.5 OUTLIER -117.38 -43.69 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.92 -175.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 68.0 -79.56 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.139 0.576 . . . . 0.0 110.792 -178.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 10.8 mt -131.98 42.72 3.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.221 0.534 . . . . 0.0 110.193 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -127.77 24.23 6.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.044 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -136.25 109.36 7.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.421 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -110.35 -160.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.195 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -137.28 -179.53 5.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.64 0.257 . . . . 0.0 111.068 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . 0.491 ' HB ' ' H ' ' A' ' 793' ' ' THR . 6.0 m -85.31 -148.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.111 -176.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . 0.491 ' H ' ' HB ' ' A' ' 792' ' ' VAL . 1.0 OUTLIER -146.78 134.0 20.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.887 0.375 . . . . 0.0 110.642 -178.359 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . 0.473 ' O ' ' HD2' ' A' ' 796' ' ' PRO . 0.0 OUTLIER -134.51 -158.71 0.9 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.759 178.766 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . 0.552 ' HB2' ' HD3' ' A' ' 796' ' ' PRO . 40.1 m 103.62 -68.74 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.029 0 C-N-CA 125.41 1.484 . . . . 0.0 112.374 176.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.552 ' HD3' ' HB2' ' A' ' 795' ' ' SER . 60.0 Cg_endo -72.91 126.55 11.39 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 121.377 1.385 . . . . 0.0 112.25 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.577 ' HB3' HE22 ' A' ' 804' ' ' GLN . 2.6 mp -81.9 -33.39 30.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.851 179.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 86.03 -56.66 4.81 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.89 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 173.48 -139.19 4.97 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.3 t0 57.69 44.46 20.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.235 0.541 . . . . 0.0 110.583 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -56.14 -50.57 70.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.87 -174.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.06 -47.31 86.94 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.232 -176.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.1 77.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.045 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . 0.577 HE22 ' HB3' ' A' ' 797' ' ' LEU . 28.8 mt-30 -65.22 -34.81 79.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.505 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 2.2 tp -66.65 -34.18 77.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.208 0.528 . . . . 0.0 110.326 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.536 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 4.9 t-160 -72.01 -43.77 64.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 175.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -62.59 -35.46 79.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.986 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -18.17 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.065 0.46 . . . . 0.0 111.015 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 86.15 -5.1 85.09 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.351 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -81.61 -0.6 43.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.027 0.441 . . . . 0.0 110.38 -178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.536 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.3 t80 -52.63 -41.69 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.422 174.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.13 90.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.158 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -43.66 84.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.211 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.591 ' CZ ' HG22 ' A' ' 886' ' ' VAL . 76.7 t80 -55.32 -51.52 66.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.394 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . 0.459 HG12 HD22 ' A' ' 890' ' ' LEU . 32.1 m -81.15 -10.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.76 0.314 . . . . 0.0 111.81 -176.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -78.56 -63.4 1.41 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.668 0.27 . . . . 0.0 111.136 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.44 -49.63 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -172.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.723 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 49.0 t -52.2 -59.2 8.95 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -168.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.723 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.1 Cg_exo -57.37 -47.29 22.73 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.001 1.8 . . . . 0.0 112.727 -176.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.517 ' HA ' ' HE3' ' A' ' 823' ' ' LYS . 0.7 OUTLIER -71.66 -29.76 64.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.775 -177.529 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -31.47 66.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.253 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 42.0 t -63.48 -43.76 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 173.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . 0.517 ' HE3' ' HA ' ' A' ' 820' ' ' ASP . 15.9 mtmt -59.76 -41.47 91.11 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.181 174.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.532 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 6.8 tpt180 -63.01 -44.93 94.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.294 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.26 -45.73 79.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.497 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -37.39 75.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.101 0.477 . . . . 0.0 110.618 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 39.7 m -67.02 -45.56 77.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.851 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 9.0 mm-40 -72.87 -27.74 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.664 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.29 -35.74 80.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.135 175.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.09 73.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.989 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -5.65 58.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.172 178.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 64.27 30.19 13.54 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.586 0.707 . . . . 0.0 110.23 -177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -84.34 74.54 10.33 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.963 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.42 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 35.5 m-85 -59.08 -29.81 67.61 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.807 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.34 94.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.034 0.445 . . . . 0.0 110.216 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.7 -36.89 59.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.589 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.8 OUTLIER -56.64 -50.0 73.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.058 174.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.44 95.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.25 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -60.33 -47.67 85.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.075 0.464 . . . . 0.0 111.22 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.2 m -68.69 -39.52 80.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.34 86.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 0.0 110.381 176.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . 0.607 ' O ' ' HG2' ' A' ' 845' ' ' LYS . 0.1 OUTLIER -56.92 -49.85 74.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.382 174.833 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 843' ' ' ARG . 5.2 ttm180 -63.7 -40.71 97.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.188 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.444 ' HA ' HG22 ' A' ' 847' ' ' VAL . 2.6 mt -69.94 -41.05 75.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.216 -178.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 842' ' ' HIS . 15.9 ptmt -64.23 -32.79 74.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.813 0.34 . . . . 0.0 110.126 177.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.19 -46.47 64.7 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.497 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.444 HG22 ' HA ' ' A' ' 844' ' ' LEU . 15.5 m -69.18 -36.66 74.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 117.005 0.402 . . . . 0.0 111.739 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -72.12 -39.89 68.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 0.0 110.098 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.66 84.09 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.289 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.5 ttm -64.91 -40.31 94.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.164 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 44.0 mt -78.73 -9.82 59.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.759 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 76.91 6.74 3.22 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.663 0.744 . . . . 0.0 110.683 173.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.09 93.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.589 177.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.493 ' HB ' ' CD ' ' A' ' 855' ' ' PRO . 16.4 t -56.1 -60.17 9.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.42 -174.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.543 ' HG2' ' OH ' ' A' ' 885' ' ' TYR . 10.5 Cg_endo -55.84 -42.16 69.95 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.174 1.916 . . . . 0.0 112.517 -178.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 859' ' ' LEU . . . -64.04 -46.35 91.5 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.226 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . 0.721 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 0.0 OUTLIER -67.6 -37.69 82.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.446 -179.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -36.07 78.87 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.93 0.395 . . . . 0.0 110.294 174.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 856' ' ' GLY . 19.6 mt -62.19 -49.45 75.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.744 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.721 ' SG ' ' HA ' ' A' ' 857' ' ' LYS . 0.1 OUTLIER -70.88 -34.89 72.05 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.394 -177.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.96 -45.85 87.26 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.091 0.472 . . . . 0.0 110.432 177.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 25.0 m -65.22 -37.13 86.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.167 176.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.701 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.8 OUTLIER -60.31 -43.35 96.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.414 176.453 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.27 -45.74 83.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.174 0.511 . . . . 0.0 110.432 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . 0.588 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 17.8 t60 -64.74 -33.63 76.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.443 177.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 863' ' ' LEU . 26.1 mt -68.92 -40.04 79.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.836 0.35 . . . . 0.0 110.383 177.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.507 ' HA ' HD11 ' A' ' 875' ' ' ILE . 36.3 mt -67.07 -44.81 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 177.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -62.0 -34.89 77.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.321 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -90.26 -0.5 57.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.73 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.1 42.98 30.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.027 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -91.53 80.05 5.45 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.507 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 1.9 t -53.3 -50.13 84.27 Favored Pre-proline 0 CA--C 1.538 0.504 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.803 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 12.5 Cg_endo -56.89 -43.27 55.94 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.102 1.868 . . . . 0.0 112.419 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . 0.468 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -63.81 -43.99 96.86 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.879 -0.676 . . . . 0.0 111.863 177.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.507 HD11 ' HA ' ' A' ' 867' ' ' ILE . 62.3 mt -55.72 -50.63 66.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.649 0.262 . . . . 0.0 110.411 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -53.88 -49.65 68.05 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.988 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -40.38 96.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.123 -177.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.701 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 3.1 m-85 -75.99 -32.15 59.31 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.414 -176.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 875' ' ' ILE . 17.0 mm -60.18 -49.59 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.31 -28.78 66.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.675 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . 0.427 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -69.21 -34.87 75.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.853 0.358 . . . . 0.0 110.657 177.644 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 10.4 mt -71.06 -33.56 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 173.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.87 -45.62 67.28 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 6.5 p -66.22 -32.63 74.18 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.246 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . 0.543 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 24.7 t80 -57.39 -58.22 9.21 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 122.462 1.125 . . . . 0.0 109.715 175.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.626 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 2.0 t -65.75 -35.98 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.967 -1.924 . . . . 0.0 110.275 -176.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 4.0 mttp -56.36 -45.7 80.35 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.965 176.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.3 m -83.25 -15.48 50.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.238 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.24 -33.49 59.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 178.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.321 175.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 2.3 ttp . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . 0.546 ' O ' ' HG3' ' A' ' 776' ' ' GLN . 0.0 OUTLIER 70.88 112.48 0.06 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 123.912 0.758 . . . . 0.0 111.482 177.6 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 68.75 -66.54 0.24 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.698 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -80.96 40.08 0.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.283 0.563 . . . . 0.0 111.078 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.81 -17.41 6.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.496 175.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . 0.498 ' HB2' ' H ' ' A' ' 781' ' ' GLN . 0.0 OUTLIER -160.85 -141.21 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.077 179.018 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . 0.498 ' H ' ' HB2' ' A' ' 780' ' ' LEU . 0.9 OUTLIER -114.43 165.9 12.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.192 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.559 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 0.3 OUTLIER -61.03 -62.15 2.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 176.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.559 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 21.7 mm -120.25 -82.91 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 171.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' A' ' 785' ' ' VAL . 0.0 OUTLIER -169.15 -46.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.743 176.363 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' ' 789' ' ' GLN . 1.7 m -135.73 31.24 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.678 0.275 . . . . 0.0 110.466 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . 0.441 ' HB3' ' H ' ' A' ' 787' ' ' LEU . 0.7 OUTLIER 53.65 -98.75 0.08 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.934 -176.011 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . 0.441 ' H ' ' HB3' ' A' ' 786' ' ' GLN . 0.3 OUTLIER -78.94 -56.38 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.14 177.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . 177.08 168.62 0.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.181 -0.918 . . . . 0.0 108.844 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . 0.542 ' HB2' HG11 ' A' ' 785' ' ' VAL . 0.3 OUTLIER -139.61 69.1 1.36 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.284 0.564 . . . . 0.0 109.793 175.008 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -140.18 -176.3 4.56 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.012 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -168.63 -177.25 3.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.214 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.36 146.61 33.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.828 0.347 . . . . 0.0 110.648 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 15.2 t -120.09 -165.37 1.17 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 173.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . 0.545 ' O ' ' HD3' ' A' ' 796' ' ' PRO . 0.6 OUTLIER -70.88 141.93 51.19 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.951 0.405 . . . . 0.0 110.505 -179.572 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.96 92.31 5.16 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.522 175.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.545 ' HD3' ' O ' ' A' ' 794' ' ' GLU . 16.4 Cg_endo -90.09 -172.84 0.61 Allowed 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 123.021 2.481 . . . . 0.0 112.059 -177.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.563 ' HB3' ' HG2' ' A' ' 804' ' ' GLN . 0.2 OUTLIER -114.22 113.54 24.78 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.115 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -78.16 -27.02 58.79 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.048 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -167.13 168.51 40.44 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 177.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 13.1 t0 66.08 74.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.411 0.624 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -69.28 -30.99 69.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.862 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -58.19 -45.35 87.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.054 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.5 91.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . 0.563 ' HG2' ' HB3' ' A' ' 797' ' ' LEU . 1.2 mp0 -67.5 -45.24 76.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.858 -178.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.61 HD21 ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -69.59 -26.52 64.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.582 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.43 -46.45 63.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.836 174.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.12 82.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.95 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -12.0 60.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.838 0.351 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 76.87 17.68 79.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.939 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.499 ' HB3' ' CD2' ' A' ' 851' ' ' LEU . 10.0 m-30 -94.03 -6.71 44.64 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.941 0.4 . . . . 0.0 110.469 -177.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.61 ' HD1' HD21 ' A' ' 805' ' ' LEU . 91.2 t80 -59.31 -36.17 75.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.482 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -59.16 -37.23 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.2 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.4 mt -78.22 -34.62 49.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.288 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.535 ' HB2' HD11 ' A' ' 805' ' ' LEU . 53.4 t80 -57.83 -53.46 57.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.44 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 811' ' ' TYR . 9.1 m -79.04 -9.12 12.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.501 -177.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -85.24 -70.66 0.57 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.999 0.428 . . . . 0.0 111.439 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 3.4 t -89.53 -32.11 17.32 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -171.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.639 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 63.4 t -62.65 -55.03 42.57 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.639 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 36.1 Cg_exo -61.07 -38.86 64.45 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.584 1.523 . . . . 0.0 111.812 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.27 -29.04 63.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.446 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . 0.589 ' HB3' HD11 ' A' ' 844' ' ' LEU . 0.3 OUTLIER -68.02 -37.2 81.1 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.537 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 883' ' ' ASP . 56.1 t -61.66 -41.37 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.91 173.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -59.74 -39.96 86.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.234 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.67 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -61.01 -45.74 93.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.177 176.73 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 822' ' ' VAL . 30.3 mt -52.48 -46.47 66.57 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.533 176.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -36.18 82.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.768 178.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 19.0 m -66.15 -45.55 80.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.7 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 7.2 mm-40 -67.57 -34.58 77.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . 0.428 ' HA ' HD21 ' A' ' 837' ' ' LEU . . . -63.65 -41.48 98.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.793 177.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -68.14 -29.21 68.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.164 0.506 . . . . 0.0 110.641 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 6.7 m -83.53 -12.0 56.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.807 177.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.4 25.55 15.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.625 0.726 . . . . 0.0 109.896 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -91.74 78.04 5.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.337 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.767 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 24.8 m-85 -62.6 -22.69 66.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.727 -178.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -65.68 -40.15 92.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.282 0.563 . . . . 0.0 109.708 173.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -76.16 -32.12 58.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.008 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.767 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.0 OUTLIER -55.6 -49.96 71.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.812 173.449 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.82 99.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.227 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -60.28 -44.74 95.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.825 0.345 . . . . 0.0 110.993 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 6.0 m -66.92 -44.19 81.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.925 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.57 76.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.971 0.415 . . . . 0.0 110.728 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -47.8 84.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.143 175.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.526 ' HD2' ' OD1' ' A' ' 821' ' ' ASP . 32.5 ttm105 -62.13 -44.46 96.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.392 178.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 821' ' ' ASP . 0.1 OUTLIER -64.82 -38.11 89.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.035 -178.22 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.639 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 8.5 ttmt -62.25 -43.81 97.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.853 176.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.25 -47.98 61.18 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.612 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.68 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 27.6 m -66.06 -36.53 77.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 CA-C-N 116.872 0.336 . . . . 0.0 111.279 -177.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.43 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 0.2 OUTLIER -67.33 -40.97 85.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.732 0.301 . . . . 0.0 110.365 179.339 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.9 86.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.221 175.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -36.84 78.21 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.818 177.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 70.4 mt -74.44 -11.76 60.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.412 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 79.11 14.96 1.06 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.642 176.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.7 83.31 8.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.8 177.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.436 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 12.1 t -53.46 -56.85 20.42 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.296 -176.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 12.9 Cg_endo -56.83 -32.9 93.33 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.13 1.886 . . . . 0.0 112.216 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.51 -45.39 78.2 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.696 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -36.27 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -63.35 -39.08 93.57 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.635 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.24 -49.18 78.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.486 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 29.7 m -63.44 -34.25 77.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.097 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . 0.639 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 1.2 mm-40 -61.02 -51.81 67.64 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.153 0.502 . . . . 0.0 110.394 177.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . 0.475 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.7 m -65.13 -36.32 83.9 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.946 178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.594 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -58.56 -49.64 76.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.154 176.565 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.17 -39.93 80.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.768 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . 0.4 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 2.6 t60 -67.45 -36.12 80.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.614 177.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 28.4 mt -67.11 -39.88 86.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.933 0.397 . . . . 0.0 110.471 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.428 ' HA ' HD11 ' A' ' 875' ' ' ILE . 29.5 mt -66.04 -42.63 91.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.405 177.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.83 -28.5 69.03 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.763 178.73 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 20.0 mm-40 -85.06 -5.2 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.145 178.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 57.17 38.65 29.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.986 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -89.17 86.66 6.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.506 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.617 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 0.5 OUTLIER -53.37 -58.51 12.42 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.815 -170.771 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.617 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 42.6 Cg_exo -57.35 -36.15 98.88 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.072 1.848 . . . . 0.0 112.046 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -65.72 -40.15 95.63 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.036 178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 872' ' ' VAL . 41.0 mt -62.55 -52.9 54.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.743 0.306 . . . . 0.0 110.474 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 872' ' ' VAL . 8.7 mt-10 -59.23 -43.43 92.35 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.592 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -59.69 -47.75 84.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.733 177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.598 ' HA ' ' HB2' ' A' ' 881' ' ' ASP . 0.2 OUTLIER -69.31 -33.73 73.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.741 -176.328 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 77.6 mt -58.78 -47.15 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 1.5 m -67.84 -28.72 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.967 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . 0.598 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 2.6 m-20 -69.07 -40.89 78.19 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.123 0.487 . . . . 0.0 110.621 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.91 -33.67 60.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.147 0.499 . . . . 0.0 109.976 175.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . 0.777 ' HB2' HG11 ' A' ' 822' ' ' VAL . 1.9 t70 -69.61 -46.69 65.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.612 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 9.6 p -64.18 -32.95 74.73 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.313 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -55.16 28.29 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 122.055 0.931 . . . . 0.0 110.091 177.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.586 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.3 t -61.94 -39.48 83.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.465 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -64.55 -33.61 76.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.719 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.3 -27.45 42.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.444 176.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -48.19 80.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.973 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.264 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . 0.686 ' HG2' HG12 ' A' ' 779' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.79 0.328 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -151.67 -93.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.62 -36.27 83.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.44 0.638 . . . . 0.0 109.96 175.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -116.01 78.57 1.2 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.787 176.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . 0.686 HG12 ' HG2' ' A' ' 775' ' ' MET . 2.0 m -62.29 -40.93 89.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.344 0.592 . . . . 0.0 109.735 176.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -176.62 -143.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . 0.431 ' HB2' ' H ' ' A' ' 782' ' ' LEU . 7.9 mt-30 -103.28 -109.42 0.25 Allowed 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 168.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.838 ' HG ' HG13 ' A' ' 783' ' ' ILE . 1.1 pt? -177.51 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 176.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.838 HG13 ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -145.6 -136.67 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 CA-C-N 114.24 -1.345 . . . . 0.0 107.674 169.585 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.503 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 0.7 OUTLIER -126.23 -40.49 1.98 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.164 0.507 . . . . 0.0 110.833 -179.07 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' ' 789' ' ' GLN . 0.3 OUTLIER -117.27 79.9 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.551 -175.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . 0.61 ' HG3' HD21 ' A' ' 782' ' ' LEU . 0.1 OUTLIER -84.94 -59.47 2.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.144 -177.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.64 17.63 22.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.929 178.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -127.28 -174.3 3.13 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.14 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . 0.42 ' HB2' HG11 ' A' ' 785' ' ' VAL . 0.0 OUTLIER 68.07 76.7 0.26 Allowed 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.886 0.741 . . . . 0.0 110.135 -178.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.4 ' H ' ' HG2' ' A' ' 790' ' ' GLU . 1.9 pt-20 -80.96 164.13 22.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.891 176.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.41 165.88 11.97 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.99 0.424 . . . . 0.0 111.224 -176.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.55 143.28 37.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.821 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 4.3 t -141.48 132.68 26.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.001 0.429 . . . . 0.0 110.254 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.75 128.12 55.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -176.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.2 78.43 74.39 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.12 175.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -66.13 -40.6 15.14 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.202 1.934 . . . . 0.0 112.592 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 34.2 mt -140.78 81.07 1.78 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.028 0.442 . . . . 0.0 110.699 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -78.62 -37.07 27.84 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.755 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 160.85 143.39 3.66 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.244 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 21.0 t0 66.14 96.8 0.05 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.485 0.714 . . . . 0.0 111.505 177.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.37 -41.03 90.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.517 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . 0.559 ' HA ' HD23 ' A' ' 805' ' ' LEU . 0.8 OUTLIER -61.27 -47.54 85.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.84 -179.433 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.87 89.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.901 0.381 . . . . 0.0 110.613 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -45.67 74.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.765 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -63.5 -34.24 77.34 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.105 0.479 . . . . 0.0 110.358 179.346 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -68.29 -42.02 80.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.324 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -66.06 -29.24 69.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.817 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 -2.8 58.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.821 0.343 . . . . 0.0 111.218 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 72.07 32.21 63.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.085 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.41 ' HB3' HD22 ' A' ' 851' ' ' LEU . 13.7 m-85 -96.21 0.66 51.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.679 0.276 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -42.47 94.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -60.9 -32.24 71.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.57 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.84 -33.78 24.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.071 0.462 . . . . 0.0 109.885 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -60.78 -46.16 91.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.626 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . 0.64 HG12 HD22 ' A' ' 890' ' ' LEU . 18.7 m -82.81 -6.17 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.709 -178.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . 0.525 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 8.0 t70 -90.65 -72.49 0.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.872 0.368 . . . . 0.0 111.386 -176.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 3.8 t -79.57 -31.15 41.86 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -171.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.678 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 94.0 t -63.58 -55.54 33.78 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.982 -173.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.678 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 38.2 Cg_exo -59.51 -35.43 95.82 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.846 1.697 . . . . 0.0 112.203 178.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 823' ' ' LYS . 5.4 t0 -71.44 -39.81 70.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.343 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.76 -34.82 74.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.451 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.11 -37.87 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 173.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 820' ' ' ASP . 1.4 mtpt -57.06 -55.43 34.87 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.93 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.516 ' HG3' HG21 ' A' ' 840' ' ' THR . 2.4 ptp180 -64.74 -36.08 83.14 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.92 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.569 HD23 HD23 ' A' ' 837' ' ' LEU . 1.1 mt -55.14 -48.88 73.07 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.14 0.495 . . . . 0.0 110.209 175.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.413 ' HD1' ' HA ' ' A' ' 826' ' ' TYR . 0.0 OUTLIER -65.42 -42.42 92.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.819 178.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 29.9 m -65.52 -42.45 92.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.803 -174.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.492 ' HA ' ' OG1' ' A' ' 831' ' ' THR . 5.8 mm-40 -78.61 -25.13 45.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.001 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . 0.807 ' HA ' HD11 ' A' ' 837' ' ' LEU . . . -63.15 -35.84 81.63 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 172.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.61 89.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.833 174.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . 0.492 ' OG1' ' HA ' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -72.17 -9.74 58.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.572 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.3 m 62.31 32.94 16.84 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.716 0.77 . . . . 0.0 109.692 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.68 73.65 10.39 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.174 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.543 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 62.1 m-85 -59.65 -29.45 68.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.222 -176.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 839' ' ' GLN . . . -64.39 -41.31 96.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.241 0.543 . . . . 0.0 109.953 175.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.31 -36.4 54.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.807 HD11 ' HA ' ' A' ' 829' ' ' ALA . 1.8 mt -55.64 -49.21 73.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.113 175.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.7 98.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.118 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 835' ' ' ALA . 64.9 mm-40 -61.96 -45.43 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.845 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . 0.516 HG21 ' HG3' ' A' ' 824' ' ' ARG . 2.3 m -70.78 -37.16 73.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.107 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.41 93.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.056 0.455 . . . . 0.0 109.961 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -40.5 97.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.467 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -59.92 -50.38 73.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.562 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.493 ' HA ' HG22 ' A' ' 847' ' ' VAL . 1.6 tp -67.66 -37.53 82.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.714 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.711 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 10.1 ttmt -61.39 -43.44 98.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.168 176.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.76 -45.29 76.37 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.681 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.52 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 26.1 m -70.97 -30.31 40.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.865 0.333 . . . . 0.0 111.353 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.42 ' HD1' ' HA ' ' A' ' 848' ' ' PHE . 2.8 m-30 -70.87 -46.27 62.93 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.15 -25.57 67.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.242 0.544 . . . . 0.0 110.059 174.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -48.84 31.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.446 175.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 13.6 mt -90.83 19.58 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.196 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 58.93 35.44 24.14 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.102 0.961 . . . . 0.0 112.008 170.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.64 67.66 2.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.644 171.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.507 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -56.9 -54.7 51.48 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.674 -171.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.507 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 51.3 Cg_exo -55.73 -39.2 92.49 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.141 1.894 . . . . 0.0 112.341 177.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -65.64 -42.42 95.45 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.437 177.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -42.39 99.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -38.12 77.77 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.221 177.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.97 -43.15 96.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.339 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.454 ' HB2' ' HB2' ' A' ' 845' ' ' LYS . 34.3 m -64.78 -36.44 84.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.299 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . 0.711 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 2.4 mt-10 -64.14 -48.68 75.09 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.21 0.529 . . . . 0.0 110.173 177.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . 0.688 ' HB ' ' HE2' ' A' ' 878' ' ' TYR . 2.4 m -64.57 -32.97 74.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.609 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.426 ' HG ' ' CB ' ' A' ' 878' ' ' TYR . 0.5 OUTLIER -60.25 -45.91 91.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.125 174.793 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.19 -43.03 78.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.404 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -65.14 -40.78 94.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.951 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 58.9 mt -66.47 -33.78 76.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.16 0.505 . . . . 0.0 110.3 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.487 ' HA ' HD11 ' A' ' 875' ' ' ILE . 16.1 mt -68.2 -42.44 84.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.437 0.637 . . . . 0.0 109.56 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.68 -33.38 74.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.54 179.198 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 1.8 tp10 -76.94 -12.85 60.01 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.73 178.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 65.34 43.71 3.42 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.151 -177.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -99.88 87.82 3.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.596 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.548 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 3.4 t -58.83 -50.31 88.67 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.137 -175.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 7.3 Cg_endo -51.5 -45.35 38.15 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.28 1.987 . . . . 0.0 112.375 176.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -63.0 -40.35 99.2 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.293 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 872' ' ' VAL . 61.7 mt -59.67 -54.69 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.44 0.162 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 0.0 OUTLIER -65.56 -34.41 78.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.745 0.307 . . . . 0.0 110.842 -177.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 873' ' ' PRO . 3.7 mtpp -64.92 -43.44 92.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.411 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.688 ' HE2' ' HB ' ' A' ' 862' ' ' THR . 2.4 m-85 -69.65 -34.11 73.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.737 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.9 -43.5 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 3.8 m -67.61 -31.0 70.73 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.801 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 885' ' ' TYR . 3.8 m-20 -73.78 -35.45 64.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.257 0.551 . . . . 0.0 110.448 178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 11.2 mt -68.46 -33.42 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.702 174.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -47.29 62.25 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.484 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.7 p -62.5 -38.7 90.92 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.812 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . 0.434 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 1.2 t80 -62.81 -55.84 22.74 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.212 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.545 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.2 t -62.81 -32.26 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.588 -1.187 . . . . 0.0 110.37 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.85 -43.87 86.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.008 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -25.33 37.3 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.49 -178.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -17.19 34.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -176.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.64 HD22 HG12 ' A' ' 815' ' ' VAL . 18.0 mt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.515 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 1.8 ttp . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.667 0.27 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . 0.537 ' O ' ' HB2' ' A' ' 777' ' ' GLU . 6.8 tp-100 -78.44 121.87 25.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.098 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.537 ' HB2' ' O ' ' A' ' 776' ' ' GLN . 1.1 mm-40 81.98 -39.35 0.12 Allowed 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.145 0.903 . . . . 0.0 110.859 177.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -126.48 102.31 7.07 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -26.12 31.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.296 177.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 2.1 mt 64.37 -155.14 0.3 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.721 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -116.78 160.23 21.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.208 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 12.6 tp -66.89 -59.96 3.06 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.633 HG23 ' H ' ' A' ' 784' ' ' GLU . 0.1 OUTLIER -132.72 -71.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.633 ' H ' HG23 ' A' ' 783' ' ' ILE . 7.3 pt-20 -177.72 -36.37 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.371 0.605 . . . . 0.0 109.807 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.497 HG22 ' HG3' ' A' ' 784' ' ' GLU . 0.1 OUTLIER -106.35 81.37 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.299 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 787' ' ' LEU . 0.0 OUTLIER -75.4 49.52 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.735 -175.141 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 786' ' ' GLN . 0.3 OUTLIER 169.01 -95.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.301 1.04 . . . . 0.0 108.447 178.814 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . 0.42 ' H ' ' HB3' ' A' ' 787' ' ' LEU . . . -178.77 116.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.254 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -82.62 155.18 24.55 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -86.59 116.42 24.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.733 0.778 . . . . 0.0 111.054 -176.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -118.31 -20.6 8.46 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.697 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 1.3 m -65.36 136.94 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.513 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 2.0 p -84.93 -51.04 7.0 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.209 0.528 . . . . 0.0 110.429 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -134.82 170.92 15.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.603 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.71 112.03 51.18 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.84 72.75 1.94 Allowed 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.57 2.18 . . . . 0.0 111.135 173.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.49 -129.26 1.37 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.75 -174.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 73.67 16.19 79.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.379 174.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 75.49 30.98 57.54 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.701 177.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -107.37 15.87 24.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.388 0.614 . . . . 0.0 110.256 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 805' ' ' LEU . 25.5 mp0 -60.26 -46.28 90.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.482 -175.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . 0.481 ' HA ' HD23 ' A' ' 805' ' ' LEU . 3.0 t-20 -70.38 -42.09 72.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.003 0.43 . . . . 0.0 110.633 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.37 75.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.858 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -64.84 -38.11 89.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.918 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -61.88 -43.06 99.61 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -177.443 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.438 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 1.1 p80 -80.94 -21.32 40.53 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.827 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -72.11 -40.48 68.12 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.752 0.311 . . . . 0.0 111.318 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.1 p -78.4 -15.95 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.964 0.411 . . . . 0.0 110.796 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 87.93 26.02 30.31 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.712 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.594 ' HB3' HD22 ' A' ' 851' ' ' LEU . 8.1 m-30 -92.58 11.97 24.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.068 0.461 . . . . 0.0 110.723 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -40.14 86.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.117 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -69.59 -40.43 76.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 -177.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 47.6 mt -70.16 -33.55 71.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.066 0.46 . . . . 0.0 110.302 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -65.48 -52.57 51.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.075 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 35.1 m -72.5 -25.16 22.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.835 -175.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . 0.608 ' O ' ' HB ' ' A' ' 817' ' ' THR . 1.3 t0 -100.26 52.35 0.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.637 -177.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . 0.608 ' HB ' ' O ' ' A' ' 816' ' ' ASP . 3.6 t 173.9 -45.77 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.452 170.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.458 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 95.0 t -65.3 -61.75 5.6 Favored Pre-proline 0 CA--C 1.535 0.384 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -171.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.458 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 19.3 Cg_endo -60.31 -35.15 92.54 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 121.783 1.656 . . . . 0.0 112.107 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.25 -38.28 75.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.864 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 824' ' ' ARG . 4.5 m-20 -70.54 -29.68 66.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.024 177.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.414 ' HA ' HD12 ' A' ' 825' ' ' LEU . 36.5 t -64.23 -45.57 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.367 175.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -64.81 -36.19 83.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.159 0.504 . . . . 0.0 109.99 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.618 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 2.9 ttm180 -61.32 -47.17 87.14 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.841 175.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.464 ' HG ' HG21 ' A' ' 840' ' ' THR . 16.5 mt -52.68 -45.9 67.02 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.295 0.372 . . . . 0.0 110.329 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -55.35 -44.17 75.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 110.481 176.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 17.2 m -67.57 -46.26 73.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.162 -176.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 30.9 mm-40 -74.13 -32.49 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -176.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.67 81.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.729 0.299 . . . . 0.0 110.551 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.22 92.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.211 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 -7.3 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.444 178.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 59.6 m 66.9 36.88 4.18 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.333 0.587 . . . . 0.0 110.705 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -81.46 75.94 8.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.526 0.679 . . . . 0.0 109.279 175.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.459 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 64.1 m-85 -62.82 -24.56 67.83 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.429 -177.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.58 86.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.247 0.546 . . . . 0.0 110.087 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -77.23 -35.27 55.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.809 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.56 HD23 HG12 ' A' ' 867' ' ' ILE . 1.2 tp -57.04 -43.41 81.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.476 174.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.31 87.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.856 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -59.24 -46.11 89.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . 0.464 HG21 ' HG ' ' A' ' 825' ' ' LEU . 6.2 m -64.97 -44.42 89.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.011 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -60.24 -38.53 83.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.546 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -63.17 -43.94 96.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.693 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -42.99 99.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.327 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.484 ' HB3' ' SG ' ' A' ' 860' ' ' CYS . 7.3 mt -66.64 -52.56 43.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.508 -178.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 860' ' ' CYS . 19.6 ptmt -57.84 -40.64 80.57 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -69.97 -47.4 46.79 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.689 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.551 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 3.5 p -69.31 -31.95 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.903 0.352 . . . . 0.0 111.267 -177.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.499 ' HD2' ' HB3' ' A' ' 853' ' ' LEU . 5.3 m-85 -68.24 -44.2 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . 0.599 ' HB2' ' HD2' ' A' ' 857' ' ' LYS . . . -60.92 -33.65 73.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.444 175.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -38.08 68.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.946 178.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.594 HD22 ' HB3' ' A' ' 810' ' ' TYR . 67.5 mt -79.94 -5.77 56.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.656 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 81.02 16.01 0.57 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.853 174.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.499 ' HB3' ' HD2' ' A' ' 848' ' ' PHE . 0.3 OUTLIER -87.57 72.91 9.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.328 175.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.428 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.1 OUTLIER -49.62 -56.38 17.17 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.722 -175.309 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.428 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 50.3 Cg_exo -55.11 -35.53 90.79 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.162 1.908 . . . . 0.0 112.409 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . 0.402 ' HA3' ' CD2' ' A' ' 848' ' ' PHE . . . -66.58 -41.35 94.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.989 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . 0.599 ' HD2' ' HB2' ' A' ' 849' ' ' ALA . 13.6 tttp -61.78 -42.57 99.16 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -61.94 -36.11 80.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.563 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -44.51 96.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.16 176.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.514 ' HB2' ' HB3' ' A' ' 845' ' ' LYS . 13.9 m -70.51 -26.68 63.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.261 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -63.39 -53.66 48.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.253 0.549 . . . . 0.0 109.888 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . 0.622 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 58.0 m -64.8 -30.65 71.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.607 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 878' ' ' TYR . 0.0 OUTLIER -60.04 -53.33 59.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.818 176.34 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 867' ' ' ILE . 0.4 OUTLIER -61.81 -33.55 74.32 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.941 0.4 . . . . 0.0 110.264 179.762 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . 0.539 ' N ' ' HG3' ' A' ' 864' ' ' GLU . 20.9 t60 -66.47 -42.27 87.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.226 176.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . 0.455 HD22 ' HA3' ' A' ' 874' ' ' GLY . 22.7 mt -65.6 -41.41 92.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.769 0.318 . . . . 0.0 110.519 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.628 ' HA ' HD11 ' A' ' 875' ' ' ILE . 20.0 mt -62.04 -43.89 98.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.219 0.533 . . . . 0.0 110.175 176.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -28.65 68.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.379 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -93.75 2.86 56.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.623 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 61.27 29.6 18.75 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.512 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.95 72.6 8.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.148 -179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.703 ' HA ' HD12 ' A' ' 875' ' ' ILE . 16.2 t -54.26 -48.78 93.47 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.468 -177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.2 Cg_endo -55.63 -40.38 85.67 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.055 1.837 . . . . 0.0 112.193 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . 0.455 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -66.94 -42.5 92.71 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.897 176.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 872' ' ' VAL . 55.7 mt -57.12 -52.05 61.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.134 0 CA-C-O 120.779 0.323 . . . . 0.0 110.461 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.57 -50.05 68.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.6 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -58.44 -49.12 78.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.296 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.622 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.1 OUTLIER -67.33 -32.4 73.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.302 -176.43 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 875' ' ' ILE . 69.2 mt -65.12 -40.19 88.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.586 176.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -31.93 72.99 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.056 0.455 . . . . 0.0 110.54 176.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.28 -36.48 74.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.216 0.531 . . . . 0.0 110.136 176.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 8.0 mt -68.13 -33.65 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.219 0.533 . . . . 0.0 109.876 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -45.57 65.83 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.55 -176.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.1 p -62.79 -37.28 86.07 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.75 177.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . 0.421 ' HD1' ' HA ' ' A' ' 885' ' ' TYR . 0.1 OUTLIER -62.48 -58.38 7.8 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.926 178.094 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.446 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.4 t -64.2 -34.49 69.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.856 -176.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -56.11 -49.51 73.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.48 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.3 m -81.39 -13.58 58.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.649 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.71 -35.48 22.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.51 0.195 . . . . 0.0 111.322 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 95.6 mt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.009 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . 0.5 ' O ' ' HB3' ' A' ' 776' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . 0.5 ' HB3' ' O ' ' A' ' 775' ' ' MET . 17.3 tt0 75.19 -45.28 0.56 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.614 0.766 . . . . 0.0 111.994 -178.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.43 ' HG3' ' H ' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -55.2 -64.88 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.314 0.578 . . . . 0.0 111.121 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -138.68 -27.23 0.85 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.523 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . 0.609 HG12 ' HG ' ' A' ' 780' ' ' LEU . 60.5 t 72.91 -67.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.731 -178.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . 0.609 ' HG ' HG12 ' A' ' 779' ' ' VAL . 9.9 mt -118.47 -161.15 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -86.31 -45.75 10.95 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.598 ' HG ' ' N ' ' A' ' 783' ' ' ILE . 1.9 pt? -173.71 -48.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.175 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.598 ' N ' ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -175.34 -19.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 -179.264 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.448 ' H ' ' H ' ' A' ' 783' ' ' ILE . 1.3 mp0 67.2 35.66 4.38 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.351 173.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.561 ' HB ' ' H ' ' A' ' 789' ' ' GLN . 27.6 m -108.16 26.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.989 176.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -45.5 -56.95 4.51 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.423 -171.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 4.6 mt -109.42 35.79 3.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.793 0.33 . . . . 0.0 110.693 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . 0.434 ' C ' ' HG3' ' A' ' 789' ' ' GLN . . . -143.19 -73.07 0.29 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.182 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . 0.561 ' H ' ' HB ' ' A' ' 785' ' ' VAL . 0.0 OUTLIER 38.59 -137.82 0.07 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.992 0.917 . . . . 0.0 111.99 -175.494 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.518 ' H ' ' HB2' ' A' ' 789' ' ' GLN . 2.7 pt-20 -143.57 140.12 30.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.803 177.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' A' ' 791' ' ' GLU . 1.4 pt-20 -90.21 148.66 22.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 -177.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . 0.543 HG23 ' HG2' ' A' ' 794' ' ' GLU . 13.0 m -133.19 140.68 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.357 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 1.9 m -76.32 65.7 2.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.249 0.547 . . . . 0.0 111.266 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . 0.543 ' HG2' HG23 ' A' ' 792' ' ' VAL . 0.6 OUTLIER -120.41 -22.79 6.36 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.252 0.548 . . . . 0.0 110.398 176.764 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.99 -49.05 83.07 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.667 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.57 129.18 12.49 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.755 1.636 . . . . 0.0 111.254 172.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.569 ' HA ' ' HG2' ' A' ' 804' ' ' GLN . 0.0 OUTLIER -74.7 88.63 2.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.066 0.46 . . . . 0.0 110.896 -177.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -90.65 -25.95 24.02 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.702 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -139.41 120.93 1.96 Allowed Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 8.0 t0 67.26 92.66 0.08 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.546 0.689 . . . . 0.0 111.179 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' A' ' 805' ' ' LEU . 36.3 mp0 -64.54 -44.46 90.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.154 -177.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . 0.822 ' HA ' HD23 ' A' ' 805' ' ' LEU . 1.9 t-20 -64.81 -44.26 90.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.945 -176.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . 0.47 ' O ' ' HD2' ' A' ' 806' ' ' HIS . . . -60.88 -51.13 70.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.612 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . 0.569 ' HG2' ' HA ' ' A' ' 797' ' ' LEU . 0.8 OUTLIER -60.69 -45.73 93.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.304 -179.262 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.822 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -67.23 -39.52 86.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 112.064 -174.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 0.1 OUTLIER -81.82 -23.89 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.284 -0.566 . . . . 0.0 111.164 -178.309 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -75.83 -37.31 59.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.646 0.26 . . . . 0.0 110.934 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.4 p -68.41 -24.41 64.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.988 0.423 . . . . 0.0 110.796 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 99.13 16.83 29.07 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.168 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.432 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 1.9 m-30 -95.91 3.59 53.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.921 0.391 . . . . 0.0 110.897 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.58 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 2.7 t80 -61.3 -42.4 98.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.697 176.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . 0.591 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -59.45 -43.24 93.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.992 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -43.0 83.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.183 0.516 . . . . 0.0 110.359 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.824 ' HE1' HG22 ' A' ' 886' ' ' VAL . 1.4 t80 -62.0 -43.78 98.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.327 -177.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 24.8 m -80.26 -22.65 11.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.708 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . 0.591 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 2.8 t0 -84.94 -44.85 12.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.271 0.558 . . . . 0.0 111.608 -176.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 54.5 m -88.22 -56.78 3.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.712 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.712 HG11 HG21 ' A' ' 886' ' ' VAL . 22.1 t -56.99 -57.17 26.36 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -166.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.645 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 44.0 Cg_exo -57.01 -32.33 92.78 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.191 1.927 . . . . 0.0 113.293 -176.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -74.86 -39.62 61.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.077 0.465 . . . . 0.0 109.896 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -37.95 78.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.859 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 818' ' ' VAL . 6.3 m -71.52 -32.16 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.421 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -62.46 -44.94 95.2 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.079 0.466 . . . . 0.0 109.786 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -60.38 -45.82 92.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.246 175.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.7 mt -55.49 -47.46 76.13 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.739 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -58.91 -46.87 86.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.323 0.582 . . . . 0.0 111.075 177.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 86.2 m -65.61 -45.1 84.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.472 -174.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.427 ' HG3' ' HB3' ' A' ' 833' ' ' ASP . 0.0 OUTLIER -77.73 -24.24 49.15 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.416 -178.242 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.87 -38.6 91.53 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 173.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.98 95.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.926 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -78.92 -11.19 59.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.05 179.028 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 65.12 36.27 7.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.427 ' HB3' ' HG3' ' A' ' 828' ' ' GLU . 10.2 t0 -81.47 74.27 8.47 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.504 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 70.7 m-85 -58.72 -32.18 68.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.231 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.38 94.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.252 0.548 . . . . 0.0 109.772 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.97 58.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.828 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.4 OUTLIER -57.54 -49.83 75.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.242 177.329 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 842' ' ' HIS . . . -62.94 -40.93 99.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.94 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -64.18 -45.43 88.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.395 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.2 m -67.87 -42.98 80.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.205 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.0 86.04 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 0.0 110.643 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 838' ' ' ALA . 7.4 t60 -60.45 -47.18 87.23 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.199 175.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 843' ' ' ARG . 0.5 OUTLIER -63.07 -42.1 99.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.641 178.632 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.488 ' HB3' ' SG ' ' A' ' 860' ' ' CYS . 5.3 mt -64.51 -41.56 96.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.671 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -40.05 92.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.081 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.85 -43.82 81.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.802 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.537 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 9.1 p -73.48 -35.99 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.788 0.294 . . . . 0.0 111.405 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -67.38 -40.56 85.71 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -63.35 -33.99 76.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.489 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 8.5 tpt -64.35 -45.52 87.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.536 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 11.0 mt -71.86 -12.75 61.43 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.554 177.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.4 m-80 76.93 24.85 0.87 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.327 176.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.68 86.08 7.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.361 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.733 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 3.3 t -52.01 -57.92 13.22 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.75 -175.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.733 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 32.2 Cg_exo -60.38 -35.23 91.87 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.941 1.761 . . . . 0.0 112.411 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . 0.416 ' HA2' HD12 ' A' ' 859' ' ' LEU . . . -65.89 -47.2 76.9 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.539 177.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -62.52 -39.09 92.42 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -44.18 77.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.674 177.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.416 HD12 ' HA2' ' A' ' 856' ' ' GLY . 13.9 mt -61.88 -48.41 80.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.63 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 55.5 m -62.11 -41.51 98.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.014 -178.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.92 -47.35 86.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.178 0.513 . . . . 0.0 110.295 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . 0.43 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 8.5 m -64.97 -36.06 83.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.796 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.814 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -59.46 -53.66 55.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . 0.692 ' HA ' HD12 ' A' ' 867' ' ' ILE . 7.1 pt-20 -65.09 -32.34 74.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.54 -178.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -63.21 -43.56 97.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.79 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 862' ' ' THR . 78.0 mt -64.67 -31.46 72.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.401 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 864' ' ' GLU . 15.8 mt -74.05 -42.29 52.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.338 0.59 . . . . 0.0 109.549 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.514 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -61.4 -35.19 76.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.545 177.473 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.514 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 11.7 mm-40 -89.58 2.91 54.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.721 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.89 43.27 30.22 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.083 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -85.94 72.82 10.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.655 ' HA ' HD12 ' A' ' 875' ' ' ILE . 2.4 t -48.01 -57.03 11.29 Favored Pre-proline 0 N--CA 1.467 0.378 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -173.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 13.0 Cg_endo -56.47 -40.07 87.02 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.065 1.843 . . . . 0.0 112.001 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.55 -35.47 86.57 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.106 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' A' ' 872' ' ' VAL . 61.5 mt -60.19 -55.19 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 872' ' ' VAL . 0.0 OUTLIER -59.59 -41.37 90.11 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.377 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -59.3 -48.96 79.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.061 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.814 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.5 OUTLIER -69.76 -33.48 72.48 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.406 -177.702 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.55 -41.17 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 9.6 m -65.43 -32.12 73.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.839 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . 0.444 ' O ' ' HB2' ' A' ' 885' ' ' TYR . 0.4 OUTLIER -68.58 -38.65 80.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.816 -179.725 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 60.9 mt -70.71 -34.07 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.232 0.539 . . . . 0.0 109.87 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -70.86 -45.34 64.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.607 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 6.8 p -62.83 -39.78 95.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.042 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 881' ' ' ASP . 0.5 OUTLIER -60.74 -57.43 12.7 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 122.223 1.011 . . . . 0.0 109.889 -179.663 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.824 HG22 ' HE1' ' A' ' 814' ' ' PHE . 1.6 t -60.26 -36.45 68.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 CA-C-N 113.515 -1.675 . . . . 0.0 110.717 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -47.7 83.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.442 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -29.41 69.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.932 0.396 . . . . 0.0 111.148 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.31 -16.24 38.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.074 -177.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 13.4 mt . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.189 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . 0.466 ' O ' ' HG2' ' A' ' 776' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . 0.703 ' O ' ' HB2' ' A' ' 777' ' ' GLU . 4.0 pm0 45.26 27.37 0.33 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.649 1.18 . . . . 0.0 113.698 175.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.703 ' HB2' ' O ' ' A' ' 776' ' ' GLN . 1.4 tm-20 147.77 -61.32 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.798 1.239 . . . . 0.0 108.648 -176.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -176.93 125.31 0.15 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.257 -1.338 . . . . 0.0 107.878 -177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.26 112.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.113 0.483 . . . . 0.0 111.472 -176.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.69 176.7 4.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.436 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -110.99 -178.48 3.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.472 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 17.9 tp -93.47 91.59 7.21 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.713 HG22 ' HG2' ' A' ' 784' ' ' GLU . 8.7 mm 59.39 -85.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.242 -171.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.968 ' HG3' HG22 ' A' ' 785' ' ' VAL . 10.3 pt-20 175.97 -26.24 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.358 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.968 HG22 ' HG3' ' A' ' 784' ' ' GLU . 0.2 OUTLIER -153.95 120.65 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -176.209 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.0 -51.45 66.8 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.38 173.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -170.62 29.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.174 175.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -84.05 39.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.461 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . 0.808 HE21 HG21 ' A' ' 785' ' ' VAL . 17.5 mt-30 -138.39 121.13 16.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.272 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 62.19 -135.22 0.51 Allowed 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 124.05 0.844 . . . . 0.0 111.845 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 62.56 88.18 0.1 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.596 0.56 . . . . 0.0 110.823 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.04 133.83 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.894 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.24 107.27 18.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.82 178.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -147.8 167.4 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.3 115.78 24.8 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 122.528 0.331 . . . . 0.0 111.015 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.438 ' O ' HG21 ' A' ' 854' ' ' VAL . 57.1 Cg_endo -71.79 -12.46 28.76 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.572 2.181 . . . . 0.0 111.97 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.99 -53.53 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.041 176.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 138.61 -63.31 0.56 Allowed Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.134 177.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 93.51 -9.36 74.12 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -138.64 24.21 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.866 -0.667 . . . . 0.0 109.685 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 805' ' ' LEU . 3.2 mp0 -47.5 -51.55 20.18 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -169.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -65.79 -40.18 91.68 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.602 -174.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -74.48 -38.94 62.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.31 0.576 . . . . 0.0 110.285 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.72 -46.87 83.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.24 177.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.712 HD11 ' HB2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -66.99 -28.96 68.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.472 179.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.571 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 7.3 t-160 -66.88 -39.66 87.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.541 175.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -81.4 -36.58 29.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.88 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . 0.447 ' OG ' ' HA ' ' A' ' 805' ' ' LEU . 29.3 p -65.08 -25.88 67.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.064 0.459 . . . . 0.0 111.009 -178.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 98.0 7.52 56.25 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.615 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.442 ' HB3' HD22 ' A' ' 851' ' ' LEU . 4.4 m-30 -84.04 -9.5 58.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 0.0 110.281 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.571 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 19.5 t80 -55.8 -39.48 71.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.903 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.15 -36.58 77.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.195 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' A' ' 813' ' ' LEU . 3.5 mt -77.86 -38.74 45.34 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.712 ' HB2' HD11 ' A' ' 805' ' ' LEU . 30.8 t80 -56.86 -49.3 75.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.403 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 22.0 m -78.54 -3.99 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.744 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -97.34 -49.74 4.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.6 p -76.18 -60.57 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.736 -174.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.802 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 21.3 t -58.16 -60.62 9.55 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -170.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.802 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 54.4 Cg_exo -53.11 -48.82 20.05 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.333 2.022 . . . . 0.0 112.969 -177.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.536 ' HA ' ' HD2' ' A' ' 823' ' ' LYS . 32.1 t70 -64.1 -45.49 88.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.991 -178.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . 0.559 ' HA ' ' HB2' ' A' ' 824' ' ' ARG . 3.9 m-20 -72.1 -19.94 61.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.871 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 3.0 t -68.43 -47.75 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 173.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . 0.536 ' HD2' ' HA ' ' A' ' 820' ' ' ASP . 0.1 OUTLIER -63.52 -37.75 88.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.21 0.528 . . . . 0.0 109.709 174.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.706 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 13.5 mtm105 -61.03 -48.94 79.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.724 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.404 ' HG ' HG21 ' A' ' 840' ' ' THR . 7.0 mt -51.34 -47.02 62.85 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.387 0.429 . . . . 0.0 110.574 176.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.469 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 13.6 m-85 -51.97 -45.71 64.55 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.376 0.608 . . . . 0.0 110.044 174.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 16.3 m -68.55 -46.12 70.34 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.429 -176.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.706 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 0.0 OUTLIER -70.82 -33.97 71.23 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.596 -179.328 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.77 90.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.705 0.288 . . . . 0.0 110.636 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.89 71.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.631 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 23.0 m -84.52 -13.33 52.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.693 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.4 m 63.48 31.63 14.79 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 121.554 0.692 . . . . 0.0 110.403 -178.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -87.43 75.88 9.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.338 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.581 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 44.8 m-85 -63.09 -24.47 67.92 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.87 -177.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.57 97.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.295 0.569 . . . . 0.0 109.632 174.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -73.7 -37.99 65.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.637 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 828' ' ' GLU . 1.2 tp -55.67 -47.51 76.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.533 175.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.97 97.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.007 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -63.2 -43.61 97.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . 0.404 HG21 ' HG ' ' A' ' 825' ' ' LEU . 96.5 m -64.69 -45.71 85.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -59.67 -40.08 86.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.823 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -65.91 -42.89 89.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.725 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -62.75 -45.33 93.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.599 179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 818' ' ' VAL . 8.5 mt -69.14 -39.97 78.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.443 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -56.3 -45.15 80.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.304 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -68.85 -38.08 84.69 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.058 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.577 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 4.8 t -61.99 -51.26 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.625 0.25 . . . . 0.0 110.803 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -59.82 -47.63 84.94 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.3 -34.89 74.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 111.384 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -35.72 75.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.702 ' HB2' ' HG ' ' A' ' 853' ' ' LEU . 9.1 mt -81.4 -9.67 59.68 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 79.49 21.65 0.59 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.291 0.995 . . . . 0.0 109.758 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.702 ' HG ' ' HB2' ' A' ' 851' ' ' LEU . 13.8 mt -83.84 70.02 10.33 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.978 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.656 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 46.4 t -53.26 -53.01 60.8 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.838 -174.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.656 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 54.0 Cg_exo -54.33 -37.92 88.79 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.057 1.838 . . . . 0.0 112.313 177.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.26 -44.61 85.42 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.764 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -38.59 89.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -44.25 81.13 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.305 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.784 ' HB3' ' HE1' ' A' ' 878' ' ' TYR . 13.2 mt -60.18 -46.14 90.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.359 176.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 83.2 m -64.0 -30.84 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.323 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -60.64 -50.34 73.91 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -39.21 85.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.981 176.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.778 ' HG ' ' CD2' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -62.13 -49.03 77.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.994 179.518 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.95 -38.79 70.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.384 0.611 . . . . 0.0 110.062 177.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . 0.494 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 37.6 t60 -67.3 -42.27 83.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.667 176.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 863' ' ' LEU . 19.9 mt -62.36 -36.03 80.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.744 0.307 . . . . 0.0 110.662 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.584 HD11 HD13 ' A' ' 863' ' ' LEU . 17.7 mt -72.09 -38.31 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.312 178.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.608 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -67.79 -28.32 67.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.73 178.6 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.608 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 1.5 mm-40 -98.0 -0.82 43.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.63 -178.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? 54.72 46.68 24.13 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.28 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -92.32 83.8 5.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.775 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.763 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 21.8 t -51.5 -56.37 21.31 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.479 -176.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.763 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.1 Cg_exo -54.85 -41.83 74.61 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 122.46 2.107 . . . . 0.0 112.377 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . 0.52 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -62.41 -39.58 97.96 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.077 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.602 ' O ' HG13 ' A' ' 879' ' ' ILE . 61.6 mt -66.17 -53.53 36.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.385 0.136 . . . . 0.0 111.221 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 1.5 pt-20 -63.11 -42.22 99.52 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.752 0.311 . . . . 0.0 110.986 -176.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -40.25 84.86 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.807 176.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.784 ' HE1' ' HB3' ' A' ' 859' ' ' LEU . 51.1 t80 -60.54 -43.9 96.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.969 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.602 HG13 ' O ' ' A' ' 875' ' ' ILE . 6.8 mt -61.15 -41.06 87.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.903 -178.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -35.4 80.59 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.579 176.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.95 -33.12 51.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.717 -176.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . 0.498 HG22 ' HA ' ' A' ' 879' ' ' ILE . 12.6 tt -74.81 -31.39 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.814 0.34 . . . . 0.0 110.208 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.56 -44.52 74.29 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.1 p -66.94 -35.39 79.88 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.719 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . 0.431 ' OH ' ' HB2' ' A' ' 855' ' ' PRO . 24.0 t80 -57.52 -58.57 7.72 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 122.041 0.924 . . . . 0.0 110.731 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.628 HG23 ' CZ ' ' A' ' 814' ' ' PHE . 7.3 p -67.81 -31.29 51.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 114.11 -1.405 . . . . 0.0 110.765 -174.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 890' ' ' LEU . 12.5 mtmt -72.05 -28.85 63.62 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.2 p -84.36 -25.17 29.35 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.328 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.3 -25.43 42.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.058 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 887' ' ' LYS . 47.7 mt . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.299 -0.857 . . . . 0.0 110.925 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.31 -32.82 0.24 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.385 0.674 . . . . 0.0 111.934 177.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.94 -36.25 49.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.184 0.516 . . . . 0.0 110.175 177.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -142.19 71.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.766 176.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.67 130.31 55.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.432 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 780' ' ' LEU . 0.0 OUTLIER -110.13 111.94 23.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.043 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -73.04 -1.79 18.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.315 -175.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.72 ' HG ' ' N ' ' A' ' 783' ' ' ILE . 0.1 OUTLIER -54.13 -42.83 69.92 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 171.16 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.72 ' N ' ' HG ' ' A' ' 782' ' ' LEU . 0.7 OUTLIER -112.25 60.57 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 CA-C-N 113.782 -1.553 . . . . 0.0 107.581 174.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.26 -23.47 9.01 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 114.781 -1.1 . . . . 0.0 111.175 -177.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.22 20.2 2.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.912 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . 0.712 ' HA ' ' HB ' ' A' ' 783' ' ' ILE . 0.4 OUTLIER 52.23 -117.06 1.1 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.829 -175.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . 0.492 ' H ' ' HG ' ' A' ' 787' ' ' LEU . 0.0 OUTLIER -96.68 -26.79 15.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.065 0.46 . . . . 0.0 110.302 179.395 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -175.87 158.42 2.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.241 -0.891 . . . . 0.0 108.985 -177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -78.87 123.03 26.82 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.322 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.96 -161.98 1.23 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.153 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.5 127.65 44.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.813 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 2.4 p -65.84 125.86 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 173.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.28 39.06 1.08 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.002 -170.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -165.34 172.93 11.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.686 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . 0.689 ' HB2' HG22 ' A' ' 854' ' ' VAL . 1.5 m -156.91 86.12 2.87 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.8 96.88 1.11 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.517 2.145 . . . . 0.0 113.329 -175.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.593 ' H ' HD22 ' A' ' 797' ' ' LEU . 0.5 OUTLIER -74.98 -53.87 8.19 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 172.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 139.46 -18.03 3.07 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.607 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 105.08 30.52 4.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.678 -0.773 . . . . 0.0 111.387 -176.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.24 27.36 3.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -176.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -54.33 -53.38 54.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.851 -1.068 . . . . 0.0 112.347 -171.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.79 -32.08 71.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.833 0.349 . . . . 0.0 110.663 -176.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -71.5 -51.4 23.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.186 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -67.26 -37.7 83.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.67 0.271 . . . . 0.0 110.625 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 1.6 tp -63.06 -38.59 91.78 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.083 0.468 . . . . 0.0 109.97 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.603 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 3.0 t-160 -68.43 -53.51 23.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.731 176.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.06 95.78 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 21.5 m -75.84 3.52 9.85 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.521 -178.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 79.63 -6.68 57.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.119 -0.563 . . . . 0.0 113.766 172.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.437 ' HD2' HD23 ' A' ' 851' ' ' LEU . 0.3 OUTLIER -78.53 1.17 23.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.29 0.566 . . . . 0.0 110.923 -177.156 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.603 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 8.8 t80 -59.96 -27.34 66.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.687 170.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.88 80.85 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.521 177.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -33.84 71.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.468 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.506 ' CZ ' HG23 ' A' ' 886' ' ' VAL . 2.2 t80 -58.57 -43.85 89.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.819 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 7.0 m -98.0 12.6 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.046 0.451 . . . . 0.0 111.023 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -90.47 -61.69 1.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.939 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 821' ' ' ASP . 0.3 OUTLIER -112.57 -30.87 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.399 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.78 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 80.8 t -53.11 -58.82 10.86 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -172.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.78 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 17.1 Cg_exo -67.4 -41.84 8.33 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 121.898 1.732 . . . . 0.0 112.251 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.12 -43.03 93.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.101 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . 0.462 ' HA ' ' HB2' ' A' ' 824' ' ' ARG . 1.6 m-20 -76.83 -28.08 55.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 1.2 t -65.12 -38.19 82.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 173.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -67.68 -36.04 79.94 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.705 174.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.462 ' HB2' ' HA ' ' A' ' 821' ' ' ASP . 26.8 mtm-85 -61.12 -45.93 92.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.988 175.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.818 HD23 ' HG ' ' A' ' 837' ' ' LEU . 0.5 OUTLIER -54.2 -44.97 72.06 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.279 175.739 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -62.3 -40.51 96.52 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.1 m -68.38 -41.24 80.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.271 0.558 . . . . 0.0 110.259 -175.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -79.69 -24.67 41.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.217 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.73 -33.45 75.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.917 0.389 . . . . 0.0 110.038 174.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.25 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.311 173.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.52 -18.49 48.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.114 177.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 11.1 m 67.91 31.72 5.53 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.917 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -83.72 74.73 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.229 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.785 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 28.3 m-85 -69.25 -15.18 63.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.474 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -69.6 -43.4 72.86 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 171.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -71.96 -36.5 69.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.528 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.818 ' HG ' HD23 ' A' ' 825' ' ' LEU . 0.3 OUTLIER -57.66 -46.16 84.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.475 175.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.3 95.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.798 178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.01 -45.27 93.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 111.165 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.2 m -64.93 -42.48 94.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.948 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.18 -31.76 73.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.613 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -61.8 -46.3 90.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.054 175.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -63.42 -42.18 98.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.402 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.407 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.4 OUTLIER -63.69 -44.19 94.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.75 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -39.23 80.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -65.36 -46.98 84.06 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.766 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.473 ' O ' ' HB3' ' A' ' 850' ' ' MET . 8.4 m -70.81 -37.42 68.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.878 0.339 . . . . 0.0 111.571 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.33 -40.4 81.64 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -67.1 -32.48 73.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.282 174.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . 0.473 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 6.7 ttt -56.35 -51.01 69.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.796 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.437 HD23 ' HD2' ' A' ' 810' ' ' TYR . 0.1 OUTLIER -85.38 -7.79 58.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.65 178.014 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.26 37.08 11.37 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.054 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.458 HD13 ' HE2' ' A' ' 885' ' ' TYR . 3.8 mt -76.67 82.69 3.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.274 176.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.773 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 2.4 t -44.33 -61.71 1.94 Allowed Pre-proline 0 N--CA 1.469 0.51 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -170.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.773 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 47.8 Cg_exo -56.36 -39.73 89.35 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.811 1.674 . . . . 0.0 112.282 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -71.73 -40.1 59.0 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.203 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -32.94 73.32 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -68.48 -38.6 81.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.029 175.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.46 -42.85 97.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.185 175.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 58.8 m -67.32 -39.25 85.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -55.33 -53.43 56.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.416 0.627 . . . . 0.0 110.023 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -31.04 71.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.128 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.2 OUTLIER -61.54 -52.02 66.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.6 0.238 . . . . 0.0 110.446 177.309 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.65 -35.7 76.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.054 0.454 . . . . 0.0 110.362 178.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . 0.518 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 12.5 t60 -67.59 -36.1 80.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.848 176.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . 0.542 HD22 ' HA3' ' A' ' 874' ' ' GLY . 12.9 mt -75.26 -33.35 61.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.646 0.26 . . . . 0.0 110.538 178.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.493 ' HA ' HD11 ' A' ' 875' ' ' ILE . 71.3 mt -71.17 -37.52 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.077 0.465 . . . . 0.0 110.067 175.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -67.63 -35.65 79.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.281 178.077 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 9.5 mm-40 -85.79 -3.51 58.92 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt 54.89 55.11 8.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.017 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -113.1 89.11 3.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.227 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.644 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 26.4 t -55.08 -52.68 69.12 Favored Pre-proline 0 CA--C 1.537 0.449 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -175.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.644 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 77.7 Cg_exo -52.1 -43.74 50.72 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.219 1.946 . . . . 0.0 112.61 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . 0.542 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -65.93 -44.99 90.72 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.68 -0.772 . . . . 0.0 111.601 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.531 ' O ' HG13 ' A' ' 879' ' ' ILE . 60.3 mt -57.48 -49.93 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 110.454 177.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.51 -54.25 43.52 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.059 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -41.3 86.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.201 -177.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -73.35 -32.83 64.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.736 -175.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 875' ' ' ILE . 75.2 mt -64.29 -39.86 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.798 174.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -29.28 66.78 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.418 177.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.65 -35.96 73.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.536 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.51 -33.49 57.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.171 0.51 . . . . 0.0 110.017 173.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . 0.432 ' O ' HG12 ' A' ' 886' ' ' VAL . 3.5 t70 -71.77 -42.06 67.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.613 0.72 . . . . 0.0 109.508 -178.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 8.9 p -70.26 -29.95 66.86 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.984 176.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . 0.458 ' HE2' HD13 ' A' ' 853' ' ' LEU . 17.4 t80 -59.28 -57.55 12.54 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.913 0.863 . . . . 0.0 110.316 176.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.506 HG23 ' CZ ' ' A' ' 814' ' ' PHE . 4.2 p -64.69 -31.35 53.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.214 -1.357 . . . . 0.0 110.669 -177.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -26.97 61.12 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.642 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 2.5 p -89.73 -24.06 21.64 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . 0.431 ' HB3' ' HE2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -83.06 -21.5 33.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.351 177.079 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.51 ' HA ' ' OH ' ' A' ' 811' ' ' TYR . 14.6 mt . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.134 171.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . 0.438 ' HG2' ' HA ' ' A' ' 779' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.979 0.419 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.95 -81.01 0.51 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.616 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -39.77 21.39 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -92.67 71.12 4.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.23 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . 0.438 ' HA ' ' HG2' ' A' ' 775' ' ' MET . 17.6 t -67.41 -52.98 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.582 176.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.6 137.12 33.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.519 176.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -95.26 -171.08 2.31 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 8.3 tp -146.3 113.46 6.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.179 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . . . . . . . . . 21.9 mt 70.19 -71.44 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 O-C-N 123.825 0.703 . . . . 0.0 110.872 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.49 ' HG2' HG22 ' A' ' 785' ' ' VAL . 19.3 tt0 -172.55 -65.15 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -176.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.49 HG22 ' HG2' ' A' ' 784' ' ' GLU . 0.0 OUTLIER -159.13 89.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.094 175.086 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.53 -21.54 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.747 -173.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 30.5 tp -71.84 -66.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.056 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -92.56 27.67 2.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -176.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 785' ' ' VAL . 0.2 OUTLIER -80.04 74.43 6.82 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 171.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -88.75 169.04 11.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.398 -175.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.0 157.16 30.56 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.065 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 5.7 m -61.85 131.51 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.187 0.518 . . . . 0.0 111.074 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.44 -159.02 0.54 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -77.9 163.36 26.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.048 0.451 . . . . 0.0 110.985 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 1.5 m -145.21 89.48 6.4 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.609 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.16 -66.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.491 2.127 . . . . 0.0 111.968 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -177.8 -46.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.459 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 79.04 -76.14 1.96 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.883 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -149.22 -26.63 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.814 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.96 83.54 1.85 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.281 0.563 . . . . 0.0 110.765 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.462 ' H ' ' HG2' ' A' ' 801' ' ' GLU . 0.0 OUTLIER -54.08 -44.05 70.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.895 177.705 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . 0.658 ' HA ' HD23 ' A' ' 805' ' ' LEU . 12.8 t30 -53.86 -39.02 65.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.746 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.2 84.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.729 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . 0.408 HE21 ' HB3' ' A' ' 804' ' ' GLN . 0.2 OUTLIER -64.27 -46.62 82.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.374 178.111 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.658 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -65.94 -31.15 71.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.241 179.676 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.79 -50.71 67.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.428 175.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.22 68.97 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.375 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 51.0 m -67.4 -18.01 64.95 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.906 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 85.76 -14.07 53.65 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.931 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.97 25.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.966 0.412 . . . . 0.0 111.406 -176.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -70.34 -32.51 70.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.174 178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.93 95.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.171 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.75 -41.89 91.59 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.281 176.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.586 ' CZ ' HG23 ' A' ' 886' ' ' VAL . 25.9 t80 -56.53 -52.91 62.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.3 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . 0.629 HG12 HD22 ' A' ' 890' ' ' LEU . 34.8 m -79.16 -2.29 5.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.757 0.313 . . . . 0.0 111.601 -177.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -95.02 -64.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.274 -177.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.79 -29.68 19.58 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -171.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.655 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 49.7 t -60.06 -54.94 50.36 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -174.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.655 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 45.2 Cg_exo -57.94 -40.49 77.53 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.986 1.79 . . . . 0.0 112.489 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -73.31 -43.65 60.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.23 -176.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -32.13 72.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.747 0.308 . . . . 0.0 110.471 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -39.77 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 174.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . 0.479 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.0 OUTLIER -68.34 -35.36 77.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.065 175.849 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -60.8 -46.47 90.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.966 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.37 -44.56 72.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.265 175.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.479 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 11.9 m-85 -57.6 -45.33 85.44 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.365 0.602 . . . . 0.0 110.25 175.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 8.0 m -65.28 -45.53 84.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.967 -176.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.23 -32.25 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.253 -176.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.92 91.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 110.648 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.12 -23.08 67.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.797 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.6 2.0 27.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.325 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.3 m 59.5 38.27 22.55 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.324 0.583 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -85.72 71.31 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.633 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 65.6 m-85 -65.06 -24.11 67.37 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.039 -175.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.45 94.78 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.198 0.523 . . . . 0.0 109.675 173.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -74.26 -33.33 63.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.426 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.633 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 1.0 OUTLIER -61.3 -38.83 88.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.411 175.451 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.45 96.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.058 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -62.36 -47.47 84.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.873 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -35.54 78.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.666 0.27 . . . . 0.0 111.217 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.69 96.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.665 0.269 . . . . 0.0 110.483 176.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -66.28 -43.93 84.98 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.453 ' O ' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -54.42 -51.22 65.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.921 177.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 844' ' ' LEU . 1.3 mt -72.46 -41.58 65.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.035 -176.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -60.78 -40.47 92.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.26 -48.46 58.49 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.86 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.539 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 16.8 m -68.34 -38.77 79.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 CA-C-N 117.146 0.473 . . . . 0.0 111.502 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -64.76 -43.03 94.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.911 -0.404 . . . . 0.0 109.911 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.71 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.102 0.477 . . . . 0.0 110.191 174.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . 0.403 ' HB3' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -63.22 -41.59 99.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.776 177.303 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 4.9 mt -80.05 -10.15 59.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.801 177.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 77.13 23.59 0.91 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.029 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.505 HD13 ' HE2' ' A' ' 885' ' ' TYR . 12.0 mt -81.42 84.62 6.63 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.697 178.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.759 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 18.8 t -55.77 -58.56 15.19 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.818 -174.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.759 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 35.9 Cg_exo -60.19 -39.81 65.38 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.116 1.877 . . . . 0.0 112.03 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . 0.484 ' HA2' HD12 ' A' ' 859' ' ' LEU . . . -64.79 -45.04 93.86 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.148 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . 0.532 ' HE3' ' HA ' ' A' ' 854' ' ' VAL . 0.0 OUTLIER -62.69 -35.62 80.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.852 0.358 . . . . 0.0 110.075 177.828 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.36 -37.08 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.554 176.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.484 HD12 ' HA2' ' A' ' 856' ' ' GLY . 43.7 mt -62.73 -45.91 90.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.104 176.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 20.4 m -64.53 -36.32 83.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 178.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.87 -51.47 69.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.194 0.521 . . . . 0.0 110.791 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . 0.534 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.3 m -68.99 -28.77 66.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.805 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -62.06 -49.14 77.17 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 173.197 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.84 -43.98 63.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.438 174.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . 0.693 ' O ' ' HG2' ' A' ' 869' ' ' GLU . 20.3 t60 -62.13 -48.18 81.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.034 177.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.02 -28.11 69.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.772 0.32 . . . . 0.0 111.122 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.537 ' HA ' HD11 ' A' ' 875' ' ' ILE . 38.7 mt -76.2 -35.88 29.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -66.7 -34.28 77.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.314 176.726 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.693 ' HG2' ' O ' ' A' ' 865' ' ' HIS . 30.9 mm-40 -83.23 -8.29 59.49 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.812 0.339 . . . . 0.0 110.488 178.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt 61.59 40.48 13.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -96.48 81.32 3.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.966 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' A' ' 875' ' ' ILE . 2.2 t -49.55 -52.59 48.96 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.616 -177.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 10.9 Cg_endo -54.76 -42.96 63.7 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 122.348 2.032 . . . . 0.0 112.592 178.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.63 90.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.869 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 867' ' ' ILE . 56.5 mt -56.99 -49.96 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -56.25 -45.95 79.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.062 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.47 -40.89 92.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.845 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.624 ' HA ' ' HB2' ' A' ' 881' ' ' ASP . 1.5 m-85 -75.68 -32.03 59.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.812 -176.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 875' ' ' ILE . 44.5 mt -61.21 -43.04 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 172.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 51.5 m -67.02 -28.67 68.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.682 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . 0.624 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -69.45 -36.89 77.04 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.278 0.561 . . . . 0.0 110.363 176.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 34.5 mt -69.47 -32.9 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.286 0.565 . . . . 0.0 109.789 173.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 10.4 t0 -72.15 -42.77 65.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.35 -178.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 3.0 p -65.4 -38.28 89.49 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.102 178.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . 0.505 ' HE2' HD13 ' A' ' 853' ' ' LEU . 28.8 t80 -49.34 -57.74 6.34 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.961 0.886 . . . . 0.0 110.359 172.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.599 HG22 HD21 ' A' ' 890' ' ' LEU . 1.4 p -68.56 -30.45 47.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 114.355 -1.293 . . . . 0.0 111.393 -176.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 7.4 mmtm -56.21 -48.45 76.41 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.561 0.219 . . . . 0.0 110.966 174.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -25.65 48.04 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -178.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -46.28 67.61 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.504 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.629 HD22 HG12 ' A' ' 815' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.499 176.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.493 0.187 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -43.91 24.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 111.553 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -74.34 -45.34 47.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.502 . . . . 0.0 109.888 178.513 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -116.07 93.57 4.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.408 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . 0.415 HG23 ' H ' ' A' ' 779' ' ' VAL . 0.2 OUTLIER -74.04 76.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.598 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.21 -40.94 98.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.549 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -80.3 72.37 7.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.471 175.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.536 ' HG ' HG12 ' A' ' 783' ' ' ILE . 0.4 OUTLIER -63.62 -29.57 70.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.653 0.74 . . . . 0.0 109.493 175.332 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.536 HG12 ' HG ' ' A' ' 782' ' ' LEU . 27.7 mm -92.74 46.7 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.876 175.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.629 ' HG3' HG22 ' A' ' 785' ' ' VAL . 0.4 OUTLIER -89.59 5.75 44.25 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 171.833 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.629 HG22 ' HG3' ' A' ' 784' ' ' GLU . 0.0 OUTLIER -150.98 -42.23 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.841 -174.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . 0.447 ' HG3' HG23 ' A' ' 783' ' ' ILE . 0.0 OUTLIER 66.14 -95.63 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.959 -179.436 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.07 56.01 1.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.991 0.425 . . . . 0.0 110.735 -177.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . 0.577 ' HB3' ' HB ' ' A' ' 785' ' ' VAL . . . -145.44 -160.19 1.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.766 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . 0.418 ' CG ' HG21 ' A' ' 785' ' ' VAL . 52.3 mm-40 73.62 5.87 4.95 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.695 0.798 . . . . 0.0 112.158 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.608 ' HG3' ' H ' ' A' ' 791' ' ' GLU . 5.8 pt-20 -150.45 -73.99 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.194 -0.202 . . . . 0.0 111.473 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . 0.608 ' H ' ' HG3' ' A' ' 790' ' ' GLU . 23.5 mm-40 -70.48 117.5 12.1 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.891 0.377 . . . . 0.0 110.375 -178.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 1.2 p -173.89 -8.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.354 -174.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 56.2 m -152.63 116.77 4.9 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 120.769 0.319 . . . . 0.0 111.099 -175.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -96.2 161.42 13.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.093 0.473 . . . . 0.0 110.95 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.63 82.24 6.22 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.116 177.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.14 5.17 5.95 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.501 2.8 . . . . 0.0 113.395 -173.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.53 HD22 ' HA ' ' A' ' 801' ' ' GLU . 1.2 mt 69.12 -81.41 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.755 0.659 . . . . 0.0 110.675 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 65.02 52.53 40.79 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.364 -0.446 . . . . 0.0 112.626 176.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 96.88 -16.6 60.69 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.817 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.64 31.33 2.62 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.18 0.514 . . . . 0.0 110.232 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.53 ' HA ' HD22 ' A' ' 797' ' ' LEU . 38.9 mp0 -63.94 -33.93 76.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.143 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . 0.631 ' HB3' ' HG ' ' A' ' 889' ' ' LEU . 2.7 p-10 -65.02 -33.48 76.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.386 177.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -64.25 -48.76 74.53 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.887 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.54 -44.58 95.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.525 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 814' ' ' PHE . 0.0 OUTLIER -59.13 -49.99 75.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.225 -177.251 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 0.3 OUTLIER -80.37 -15.91 55.74 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.126 -177.298 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -85.88 -20.14 29.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.61 0.243 . . . . 0.0 111.4 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 2.1 p -88.8 -1.11 57.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.995 0.426 . . . . 0.0 110.52 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 80.97 31.05 36.35 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.265 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -107.45 5.68 27.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 0.0 110.681 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.437 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.5 t80 -66.94 -35.29 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.262 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -60.92 -31.82 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.177 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.62 -36.16 22.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.858 0.361 . . . . 0.0 110.101 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.749 ' HB2' HD11 ' A' ' 805' ' ' LEU . 49.5 t80 -53.61 -48.59 69.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.561 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . 0.411 HG12 HD21 ' A' ' 890' ' ' LEU . 28.7 m -99.43 24.76 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.214 0.531 . . . . 0.0 111.762 -176.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -130.03 -65.73 0.81 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.211 0.529 . . . . 0.0 110.841 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 2.9 m -83.07 -34.2 26.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.057 -174.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.709 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 88.8 t -65.31 -57.13 15.91 Favored Pre-proline 0 CA--C 1.534 0.346 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -173.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.709 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 50.4 Cg_exo -55.24 -38.82 93.42 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.214 1.943 . . . . 0.0 112.989 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -77.84 -36.89 49.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.531 -176.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.99 -31.48 72.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.131 0.491 . . . . 0.0 109.7 177.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.485 HG22 HD11 ' A' ' 844' ' ' LEU . 53.0 t -66.59 -42.0 89.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.939 172.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . 0.539 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 18.0 mtmm -62.18 -37.86 86.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.43 176.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.671 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.3 mtp85 -60.42 -42.99 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.08 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.401 ' HG ' ' CG2' ' A' ' 840' ' ' THR . 8.6 mt -54.47 -44.58 72.71 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 110.28 174.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.539 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 19.7 m-85 -57.68 -42.88 84.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.343 176.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 3.8 m -64.32 -45.72 86.67 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.261 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 20.1 mm-40 -67.06 -38.86 86.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.523 -178.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.55 -41.0 93.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.673 178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.26 96.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.019 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.9 4.09 35.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.546 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.67 25.0 14.99 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.135 0.493 . . . . 0.0 111.246 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -88.74 70.13 8.73 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.646 ' HA ' ' HB3' ' A' ' 837' ' ' LEU . 16.1 m-85 -63.03 -23.12 67.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.146 -173.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.7 -46.11 91.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.333 0.587 . . . . 0.0 109.724 174.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -79.82 -32.93 40.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.651 -177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.646 ' HB3' ' HA ' ' A' ' 834' ' ' PHE . 11.4 tp -58.81 -46.97 86.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.196 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . 0.736 ' HA ' HD13 ' A' ' 867' ' ' ILE . . . -63.87 -42.41 97.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.696 177.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -61.47 -41.61 97.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.469 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . 0.401 ' CG2' ' HG ' ' A' ' 825' ' ' LEU . 5.1 m -68.5 -37.59 80.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.696 0.284 . . . . 0.0 110.937 178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.88 82.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.932 0.396 . . . . 0.0 110.4 176.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . 0.55 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 2.9 m170 -59.04 -46.44 88.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.849 175.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 847' ' ' VAL . 5.2 ttt85 -61.31 -44.79 96.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.019 178.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.485 HD11 HG22 ' A' ' 822' ' ' VAL . 0.3 OUTLIER -64.27 -44.33 92.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.518 -176.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -63.25 -35.95 82.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.579 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 845' ' ' LYS . . . -67.36 -50.83 41.63 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.579 178.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.62 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 7.3 m -63.86 -40.51 89.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.766 0.283 . . . . 0.0 111.127 -177.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.456 ' HA ' HD12 ' A' ' 851' ' ' LEU . 4.9 m-30 -65.53 -37.58 87.14 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.31 -34.92 77.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.822 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . 0.512 ' HG3' ' HA ' ' A' ' 847' ' ' VAL . 0.9 OUTLIER -61.1 -52.05 66.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.577 177.145 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.0 OUTLIER -77.92 -5.36 50.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.973 -178.391 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 71.18 33.32 2.04 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.723 0.773 . . . . 0.0 110.233 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 4.3 mt -79.13 74.64 5.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.79 -1.096 . . . . 0.0 109.266 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.826 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 39.3 t -50.59 -60.57 5.15 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.826 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 33.3 Cg_exo -57.94 -39.82 83.13 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 121.821 1.68 . . . . 0.0 112.262 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -67.42 -46.53 69.43 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.574 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -62.21 -37.52 85.63 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -61.28 -40.93 95.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.401 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 26.2 mt -61.79 -42.66 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.021 0.438 . . . . 0.0 110.303 177.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 21.6 m -66.9 -28.33 68.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.632 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.31 -48.52 67.35 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.261 177.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . 0.539 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -65.47 -33.69 76.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.427 177.599 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -43.18 99.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.15 175.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 867' ' ' ILE . 0.1 OUTLIER -56.15 -44.67 79.5 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.225 0.536 . . . . 0.0 110.496 176.624 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . 0.482 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 59.1 t60 -68.18 -29.74 68.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.693 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 4.4 mt -69.74 -35.52 75.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.8 0.333 . . . . 0.0 110.379 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.736 HD13 ' HA ' ' A' ' 838' ' ' ALA . 24.8 mt -69.34 -41.37 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.393 176.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.484 ' HE ' ' HB2' ' A' ' 868' ' ' ARG . 0.0 OUTLIER -64.89 -32.66 74.47 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.059 0.457 . . . . 0.0 110.3 177.799 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.3 OUTLIER -81.23 -13.8 58.15 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.988 176.05 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . 0.45 ' HD2' ' O ' ' A' ' 867' ' ' ILE . 0.1 OUTLIER 58.67 38.16 25.09 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.296 -177.608 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.86 89.24 7.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.009 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.521 ' O ' ' HG2' ' A' ' 876' ' ' GLU . 2.1 t -53.19 -56.23 26.15 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.899 -172.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 14.7 Cg_endo -56.65 -36.72 98.39 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.396 2.064 . . . . 0.0 112.428 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -71.88 -40.46 57.61 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.7 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.611 HG21 HD21 ' A' ' 837' ' ' LEU . 55.2 mt -58.75 -56.74 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.482 0.182 . . . . 0.0 110.515 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 879' ' ' ILE . 7.9 pt-20 -62.35 -39.66 93.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.942 -176.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -42.62 90.88 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.825 0.345 . . . . 0.0 110.646 178.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.539 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 3.7 m-85 -69.01 -32.92 72.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 875' ' ' ILE . 31.1 mt -63.5 -42.17 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.221 176.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -34.7 78.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.422 175.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -34.83 77.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.027 0.441 . . . . 0.0 110.606 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . 0.43 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 57.5 mt -68.63 -33.52 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.289 0.566 . . . . 0.0 110.002 174.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.5 -41.25 66.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.606 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . 0.461 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 6.4 p -71.14 -30.37 66.4 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.111 177.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 882' ' ' ILE . 62.3 t80 -57.78 -57.32 13.27 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 122.486 1.136 . . . . 0.0 109.789 174.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.423 HG22 ' CE1' ' A' ' 814' ' ' PHE . 1.0 OUTLIER -63.68 -31.8 54.44 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 113.3 -1.773 . . . . 0.0 110.45 -178.684 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . 0.497 ' HA ' HD12 ' A' ' 890' ' ' LEU . 4.6 mttp -63.04 -43.81 97.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 176.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.24 -23.14 38.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.013 -176.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . 0.631 ' HG ' ' HB3' ' A' ' 802' ' ' ASN . 1.6 mp -77.6 -28.03 51.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.552 177.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 887' ' ' LYS . 15.7 mt . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.811 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' A' ' 776' ' ' GLN . 6.4 tpp . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 775' ' ' MET . 0.0 OUTLIER 67.68 110.82 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.191 0.596 . . . . 0.0 111.426 179.553 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 67.78 -73.06 0.09 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.735 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -89.31 76.94 7.51 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.212 0.53 . . . . 0.0 109.753 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -25.58 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.976 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.34 -154.19 0.57 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.068 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -83.64 -172.25 4.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.873 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.626 HD11 ' HG2' ' A' ' 786' ' ' GLN . 0.4 OUTLIER -58.14 -58.89 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 110.032 176.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.621 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 5.7 mm -135.39 -82.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.32 176.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -143.95 -75.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.187 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.78 104.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.47 -178.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . 0.626 ' HG2' HD11 ' A' ' 782' ' ' LEU . 3.2 mt-30 -53.39 -54.42 37.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.318 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 787' ' ' LEU . 4.5 tp -146.76 64.22 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.171 0.51 . . . . 0.0 110.447 -177.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -159.86 63.58 0.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.255 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.61 81.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.503 -176.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.4 53.31 0.79 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 173.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -70.84 85.03 0.67 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.25 -177.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 2.4 p -141.25 112.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.691 175.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 7.4 t -105.57 120.79 42.54 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.775 0.798 . . . . 0.0 110.55 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . 0.748 ' HG3' ' HD3' ' A' ' 796' ' ' PRO . 5.9 tp10 -97.1 143.99 27.4 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.429 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.47 77.0 2.32 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.954 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.748 ' HD3' ' HG3' ' A' ' 794' ' ' GLU . 98.0 Cg_endo -88.57 161.43 6.53 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.886 2.391 . . . . 0.0 112.262 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 3.8 mt -129.44 109.32 10.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.931 0.396 . . . . 0.0 110.596 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -121.27 -20.58 3.28 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.093 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 171.33 160.72 20.55 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.646 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 6.3 t0 53.48 75.85 0.24 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.172 0.51 . . . . 0.0 111.569 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -63.2 -29.2 70.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.378 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . 0.997 ' HA ' HD23 ' A' ' 805' ' ' LEU . 41.1 t30 -62.98 -42.47 99.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.51 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -54.91 -51.47 65.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . 0.543 ' HG3' ' N ' ' A' ' 805' ' ' LEU . 0.0 OUTLIER -64.47 -42.87 95.66 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.116 -177.534 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.997 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -73.23 -38.65 65.96 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -175.788 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.563 ' N ' ' HG ' ' A' ' 805' ' ' LEU . 0.0 OUTLIER -82.78 -14.48 54.36 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.789 -178.828 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -80.95 -37.7 28.99 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -26.07 63.89 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.037 0.446 . . . . 0.0 110.644 177.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 105.92 7.96 35.08 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.795 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -88.1 8.57 26.16 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.298 0.571 . . . . 0.0 110.937 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.552 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 27.1 t80 -63.35 -28.95 70.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.168 177.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -59.93 -44.45 94.33 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.638 177.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 813' ' ' LEU . 7.2 mt -67.98 -35.54 78.53 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.105 0.478 . . . . 0.0 110.33 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.506 ' CZ ' HG23 ' A' ' 886' ' ' VAL . 4.1 t80 -60.91 -37.51 82.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.972 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 32.9 m -100.51 15.66 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.875 0.369 . . . . 0.0 111.084 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . 0.539 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 0.4 OUTLIER -106.22 -79.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.859 0.361 . . . . 0.0 111.197 -178.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.0 -18.62 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.916 -174.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.668 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 84.9 t -63.0 -53.98 50.51 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -175.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.668 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 48.3 Cg_exo -57.13 -39.53 90.05 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.94 1.76 . . . . 0.0 112.076 178.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 824' ' ' ARG . 4.2 t70 -69.86 -40.67 75.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.862 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -38.26 90.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.378 . . . . 0.0 110.595 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 825' ' ' LEU . 87.9 t -62.23 -43.49 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.079 0.466 . . . . 0.0 109.992 174.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . 0.499 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.5 OUTLIER -65.56 -35.01 79.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.701 176.58 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.5 mmp_? -56.9 -47.66 80.02 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 822' ' ' VAL . 6.2 mt -53.43 -49.7 66.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.481 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.499 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 19.8 m-85 -55.66 -47.53 76.55 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.394 0.616 . . . . 0.0 110.839 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.0 m -67.16 -42.82 83.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.958 -172.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 8.8 mm-40 -79.2 -29.66 42.97 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.017 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.54 -33.28 75.54 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 120.841 0.353 . . . . 0.0 110.396 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.84 87.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.168 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.38 8.86 31.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.65 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.81 36.26 24.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.234 177.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -86.16 71.92 10.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.567 0.699 . . . . 0.0 109.496 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.493 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 77.9 m-85 -63.61 -26.08 68.52 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.729 -177.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.79 99.94 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.296 0.569 . . . . 0.0 110.037 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -74.23 -35.3 63.85 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.723 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.524 ' HB3' HD12 ' A' ' 867' ' ' ILE . 0.6 OUTLIER -58.61 -42.98 89.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.267 175.67 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.4 94.94 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.657 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -59.71 -44.32 93.75 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.648 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . 0.836 ' HA ' ' HD3' ' A' ' 843' ' ' ARG . 3.7 m -66.51 -41.58 88.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.385 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -62.8 -31.25 72.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.027 0.441 . . . . 0.0 110.467 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . 0.694 ' HA ' ' HD2' ' A' ' 845' ' ' LYS . 36.6 m170 -69.55 -40.78 76.63 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.317 176.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.836 ' HD3' ' HA ' ' A' ' 840' ' ' THR . 8.8 mtp180 -57.86 -51.4 69.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.219 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.46 ' HA ' HG22 ' A' ' 847' ' ' VAL . 5.8 mt -62.16 -47.91 82.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.602 -175.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.694 ' HD2' ' HA ' ' A' ' 842' ' ' HIS . 0.1 OUTLIER -61.58 -34.5 75.72 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.438 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -70.77 -49.05 31.26 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.619 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.55 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 20.1 m -66.66 -33.65 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.809 0.305 . . . . 0.0 111.069 -178.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.424 ' CD2' ' HA3' ' A' ' 856' ' ' GLY . 6.3 m-85 -68.17 -43.64 77.74 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . 0.503 ' HB2' ' HD3' ' A' ' 857' ' ' LYS . . . -62.36 -34.54 76.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.017 0.437 . . . . 0.0 110.411 175.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 9.7 tpt -64.65 -44.4 90.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.795 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 17.9 mt -74.59 -13.45 60.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.596 177.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 1.0 OUTLIER 80.89 28.52 0.2 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.56 176.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.78 82.52 7.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.634 177.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.429 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 1.2 t -54.03 -57.2 19.05 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.396 -176.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 19.1 Cg_endo -59.05 -34.98 99.13 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.229 1.952 . . . . 0.0 112.01 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . 0.424 ' HA3' ' CD2' ' A' ' 848' ' ' PHE . . . -66.36 -44.05 91.36 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.846 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . 0.503 ' HD3' ' HB2' ' A' ' 849' ' ' ALA . 0.0 OUTLIER -63.36 -40.22 96.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.549 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . 0.443 ' HA ' ' OE1' ' A' ' 858' ' ' GLN . 1.1 tp-100 -56.22 -44.53 79.62 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.857 177.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.444 HD23 ' CE2' ' A' ' 878' ' ' TYR . 3.8 mt -61.43 -41.41 97.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.682 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 55.5 m -67.48 -31.31 71.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -66.26 -46.48 76.92 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.887 0.375 . . . . 0.0 110.126 177.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -36.51 83.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.466 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.665 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.1 OUTLIER -59.84 -46.78 88.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.964 175.534 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.33 -43.97 79.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.069 0.461 . . . . 0.0 110.234 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . 0.446 ' O ' ' HG3' ' A' ' 868' ' ' ARG . 4.2 t-160 -59.55 -40.91 88.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.557 176.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . 0.464 HD22 ' HA3' ' A' ' 874' ' ' GLY . 16.8 mt -71.07 -37.83 72.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.96 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' ' 863' ' ' LEU . 10.5 mm -64.57 -45.24 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.281 0.562 . . . . 0.0 109.848 175.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.555 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -65.02 -32.39 74.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.132 -177.678 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.555 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 31.5 mm-40 -95.64 -2.68 47.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.745 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp 62.87 40.46 9.6 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.355 175.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -94.02 88.5 5.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.874 0.369 . . . . 0.0 110.207 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.51 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 14.6 t -50.56 -52.48 55.35 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -175.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 9.7 Cg_endo -54.24 -45.51 40.47 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.257 1.972 . . . . 0.0 112.437 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . 0.464 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -68.23 -38.8 88.1 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.08 178.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.474 HG12 HD13 ' A' ' 867' ' ' ILE . 59.8 mt -56.37 -59.55 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 122.256 0.222 . . . . 0.0 110.813 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.97 -36.39 83.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.904 -177.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -61.51 -48.93 78.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.819 0.342 . . . . 0.0 110.708 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.665 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 0.6 OUTLIER -73.52 -31.75 63.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.484 -176.802 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 875' ' ' ILE . 93.4 mt -59.77 -44.87 94.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 4.1 m -67.41 -28.86 68.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.697 177.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . 0.525 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -69.92 -35.79 74.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.044 0.45 . . . . 0.0 110.569 177.768 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 86.3 mt -70.67 -33.12 51.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.236 0.541 . . . . 0.0 109.82 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.14 -41.31 74.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.568 0.699 . . . . 0.0 109.31 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.3 p -69.96 -30.23 67.54 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.112 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -57.17 11.0 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.983 177.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.673 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 4.9 p -62.87 -33.04 58.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.505 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -56.83 -49.23 76.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.007 0.432 . . . . 0.0 111.148 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.99 -15.99 45.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.559 -176.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' A' ' 802' ' ' ASN . 0.1 OUTLIER -81.7 -39.32 24.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.903 179.793 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 30.3 mt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.143 -179.045 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.971 0.415 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -122.76 106.42 10.91 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.66 -44.7 0.6 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.714 0.806 . . . . 0.0 111.064 -176.468 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -83.42 75.04 10.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.95 0.405 . . . . 0.0 110.191 177.022 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 2.9 t -70.81 -74.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.241 177.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 2.3 mt 58.64 -98.45 0.08 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.45 177.32 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -142.42 -91.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.157 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.757 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 0.7 OUTLIER -179.85 -54.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.785 178.021 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.757 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 0.5 OUTLIER -136.46 -111.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 172.781 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.52 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 1.2 pt-20 -156.46 -48.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.115 0.483 . . . . 0.0 109.769 175.798 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.42 ' HB ' ' N ' ' A' ' 789' ' ' GLN . 2.4 m -105.72 25.93 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.209 179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 53.1 -106.95 0.33 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.974 -177.345 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -57.38 9.67 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.747 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . 173.65 27.52 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.907 -178.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . 0.42 ' N ' ' HB ' ' A' ' 785' ' ' VAL . 0.0 OUTLIER 54.5 65.79 1.41 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.367 0.603 . . . . 0.0 109.477 -171.098 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -80.86 177.39 9.07 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.231 -169.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.74 146.11 37.31 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.239 -178.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 3.6 m -88.69 14.06 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.976 0.417 . . . . 0.0 110.602 179.241 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 63.18 49.49 3.32 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.955 -177.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -140.66 -51.21 0.46 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.552 178.268 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 50.9 85.71 0.18 Allowed Pre-proline 0 N--CA 1.463 0.211 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.364 -178.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.4 ' HB3' ' HG3' ' A' ' 855' ' ' PRO . 52.1 Cg_exo -55.16 106.8 0.2 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.04 2.493 . . . . 0.0 111.929 -179.26 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 1.6 mt 62.77 -96.73 0.06 Allowed 'General case' 0 CA--C 1.531 0.248 0 O-C-N 123.897 0.748 . . . . 0.0 110.636 -177.529 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 105.84 42.23 1.72 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.009 179.058 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -127.94 48.15 0.98 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.036 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.98 59.07 3.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.995 0.426 . . . . 0.0 110.821 179.274 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -54.95 -47.55 74.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.898 -174.478 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . 0.633 ' HA ' HD23 ' A' ' 805' ' ' LEU . 0.0 OUTLIER -66.45 -33.85 76.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.66 0.267 . . . . 0.0 110.903 -177.651 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.82 67.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.802 0.334 . . . . 0.0 110.542 179.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -63.33 -48.23 78.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.372 176.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 802' ' ' ASN . 0.0 OUTLIER -68.53 -23.79 64.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.304 0.573 . . . . 0.0 110.587 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.64 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 8.4 t-160 -73.78 -40.63 63.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.281 174.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.46 78.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.276 -178.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -19.74 61.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.134 0.492 . . . . 0.0 110.447 176.071 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 91.99 7.56 64.13 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.381 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.473 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.4 OUTLIER -91.24 -3.43 56.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.791 0.329 . . . . 0.0 111.277 -175.519 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.64 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 1.1 t80 -63.01 -30.58 71.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.42 . . . . 0.0 110.22 176.199 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 816' ' ' ASP . . . -66.57 -25.89 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.728 177.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.53 -38.26 24.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.736 176.575 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.421 ' CZ ' HG22 ' A' ' 886' ' ' VAL . 88.4 t80 -57.87 -49.28 77.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.974 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 29.1 m -80.38 -0.06 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.904 0.383 . . . . 0.0 111.424 -178.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . 0.541 ' HB2' ' O ' ' A' ' 812' ' ' ALA . 11.0 t0 -96.24 -64.27 1.07 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.411 -176.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.96 -32.01 15.41 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -173.155 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.705 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 90.7 t -59.93 -54.86 51.32 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.719 -173.777 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.705 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 52.5 Cg_exo -58.75 -32.01 96.17 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.129 1.886 . . . . 0.0 112.626 176.382 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -74.55 -44.64 50.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.759 0.314 . . . . 0.0 110.524 179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.76 -35.32 80.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.766 177.182 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.04 -43.32 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.093 174.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -37.8 86.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.85 175.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.685 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -60.36 -48.14 83.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.968 174.401 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 13.8 mt -53.4 -45.46 69.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.552 177.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -56.54 -42.81 79.13 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.468 175.648 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 25.4 m -71.65 -46.56 58.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.551 -175.064 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.685 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 4.3 mm-40 -68.5 -31.83 71.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.709 0.29 . . . . 0.0 110.358 -179.153 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.6 85.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.246 175.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -63.58 -28.3 69.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.015 179.075 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 2.2 m -85.33 -9.11 58.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.046 179.079 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.15 32.17 17.47 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.615 0.722 . . . . 0.0 110.141 -178.63 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 836' ' ' ALA . 1.0 OUTLIER -95.47 77.89 3.38 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.388 178.133 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 46.6 m-85 -58.84 -29.8 67.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.839 -178.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.28 93.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.109 0.48 . . . . 0.0 109.827 175.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . 0.402 ' HB3' ' HB3' ' A' ' 833' ' ' ASP . . . -75.27 -35.38 61.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.72 179.442 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.485 ' HA ' HD12 ' A' ' 837' ' ' LEU . 1.5 tp -57.86 -49.08 77.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.301 174.371 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.69 86.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.825 178.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -63.94 -45.81 87.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.892 177.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.4 m -69.78 -33.46 72.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.78 0.324 . . . . 0.0 110.964 179.409 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.64 97.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.039 0.447 . . . . 0.0 110.047 174.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -63.65 -32.99 74.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.158 175.39 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -49.97 69.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.192 177.492 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.552 ' HA ' HG22 ' A' ' 847' ' ' VAL . 0.1 OUTLIER -66.91 -40.99 87.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.314 -178.814 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.425 ' HG3' ' HG3' ' A' ' 857' ' ' LYS . 29.0 ttmt -57.31 -44.06 83.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.097 175.119 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.33 69.23 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.507 -0.77 . . . . 0.0 113.298 -178.228 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.552 HG22 ' HA ' ' A' ' 844' ' ' LEU . 24.3 m -70.16 -39.1 76.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 117.313 0.556 . . . . 0.0 111.15 -178.015 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.543 ' HA ' HD12 ' A' ' 851' ' ' LEU . 3.8 m-30 -69.28 -39.37 78.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 178.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -62.98 -31.66 72.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.598 175.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 5.7 tmm? -66.27 -45.64 79.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.363 176.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 848' ' ' PHE . 1.3 mt -75.03 -9.39 58.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 178.228 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 77.43 24.49 0.8 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.94 176.808 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 853' ' ' LEU . 6.6 mt -83.49 85.65 7.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.548 176.336 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.482 ' N ' ' HD2' ' A' ' 855' ' ' PRO . 17.2 t -58.97 -54.99 51.02 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.653 -175.504 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 854' ' ' VAL . 12.0 Cg_endo -55.33 -38.71 93.6 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.454 2.103 . . . . 0.0 112.275 178.249 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.49 -47.49 69.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.604 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 861' ' ' GLU . 1.7 tttp -61.86 -38.88 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 177.06 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . 0.477 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 37.6 mt-30 -62.36 -37.63 86.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.177 178.41 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.498 HD23 ' CE2' ' A' ' 878' ' ' TYR . 0.3 OUTLIER -60.87 -42.24 97.5 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.65 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 14.6 m -68.0 -29.83 68.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.157 177.423 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 857' ' ' LYS . 22.6 mm-40 -62.15 -51.6 67.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 110.18 175.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . 0.639 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 1.5 m -64.56 -34.08 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.77 178.527 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.481 ' HG ' ' HB3' ' A' ' 878' ' ' TYR . 0.4 OUTLIER -61.74 -48.65 79.77 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 175.158 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.03 -42.02 79.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.072 0.463 . . . . 0.0 110.14 175.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . 0.747 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 2.7 t-160 -61.98 -39.51 92.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.929 177.381 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . 0.54 HD22 ' HA3' ' A' ' 874' ' ' GLY . 20.3 mt -68.61 -41.54 79.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 179.113 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.42 ' HA ' HD11 ' A' ' 875' ' ' ILE . 22.8 mt -67.65 -42.2 86.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.82 177.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.747 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -64.48 -31.11 72.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.233 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 6.7 mm-40 -89.56 -4.29 57.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 110.308 179.373 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp 60.14 40.07 18.74 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.341 179.32 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -93.53 83.09 4.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.863 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.556 ' HA ' HD12 ' A' ' 875' ' ' ILE . 0.2 OUTLIER -48.53 -54.85 22.7 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -175.723 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 12.3 Cg_endo -55.95 -41.61 75.3 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.399 2.066 . . . . 0.0 112.602 -179.225 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . 0.54 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -67.44 -37.14 89.9 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.98 178.474 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.57 ' O ' HG12 ' A' ' 879' ' ' ILE . 69.7 mt -59.13 -56.81 14.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.361 0.124 . . . . 0.0 110.731 179.246 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 872' ' ' VAL . 5.1 pt-20 -66.63 -32.15 73.29 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.916 -177.642 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -58.85 -48.87 79.84 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.031 0.443 . . . . 0.0 109.99 175.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.639 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 0.2 OUTLIER -67.31 -31.88 72.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.965 179.577 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 875' ' ' ILE . 42.5 mm -54.78 -49.13 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 173.585 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -32.89 74.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.268 178.317 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -72.06 -36.86 69.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.065 0.459 . . . . 0.0 110.938 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 10.1 mt -70.44 -32.81 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 173.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 8.7 t70 -71.57 -37.99 71.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.377 -177.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . 0.4 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 3.7 p -73.29 -29.71 62.91 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.176 176.391 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -64.67 -56.62 12.6 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 122.193 0.997 . . . . 0.0 110.045 176.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.47 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 2.5 t -59.53 -32.75 49.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.713 177.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 11.0 tttt -60.64 -41.38 94.8 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.48 175.491 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -23.83 48.02 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.812 0.339 . . . . 0.0 111.06 -179.531 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 4.6 mt -78.88 -27.52 44.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.33 178.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 886' ' ' VAL . 51.3 mt . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.398 177.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 2.7 ttp . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 67.93 109.14 0.05 OUTLIER 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.867 0.729 . . . . 0.0 111.815 178.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 78.34 -64.67 0.26 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.204 175.605 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -107.37 66.44 0.67 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.848 -178.354 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 2.4 t -89.78 -59.97 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.305 0.574 . . . . 0.0 109.902 178.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 5.5 mt -143.36 94.55 2.63 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.695 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -95.63 160.03 14.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.879 0.371 . . . . 0.0 110.748 -177.102 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.597 HD23 ' H ' ' A' ' 782' ' ' LEU . 1.0 OUTLIER -84.57 -47.72 10.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.386 174.3 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.589 ' N ' ' HG ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -149.08 -129.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.424 174.296 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.533 ' H ' ' HB ' ' A' ' 783' ' ' ILE . 0.0 OUTLIER -122.78 -64.87 1.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.975 0.417 . . . . 0.0 111.038 179.775 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 1.9 m -94.37 8.55 5.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.656 -172.231 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.74 33.56 21.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.533 177.091 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 6.3 mt 68.62 -5.9 0.91 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.244 0.618 . . . . 0.0 112.352 177.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -84.43 52.24 2.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.058 0.456 . . . . 0.0 110.827 -178.454 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -138.16 105.14 5.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.922 -179.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.431 ' HG2' ' H ' ' A' ' 790' ' ' GLU . 3.2 pt-20 -88.78 116.1 26.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.386 0.612 . . . . 0.0 109.733 177.824 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.21 77.32 1.65 Allowed 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.145 -175.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 2.0 p -74.08 96.62 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.446 0.641 . . . . 0.0 109.488 175.48 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.77 110.75 19.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.273 -179.331 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.51 -179.68 6.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.25 -179.596 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.21 105.3 57.05 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.112 178.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -52.93 143.2 50.1 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.9 2.4 . . . . 0.0 111.974 177.036 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 4.0 mp -65.64 107.7 1.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.439 -178.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 106.33 35.18 2.95 Favored Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 -177.575 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -138.33 -66.4 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.512 -176.2 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -136.08 67.51 1.47 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.21 0.529 . . . . 0.0 110.694 -177.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -71.42 -31.67 67.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.024 -178.2 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -63.25 -51.14 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.02 -177.168 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.78 85.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.913 0.387 . . . . 0.0 110.493 -179.118 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -65.27 -46.34 80.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.635 178.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . 0.532 HD21 ' HD1' ' A' ' 811' ' ' TYR . 0.0 OUTLIER -66.0 -30.24 70.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.219 0.533 . . . . 0.0 110.537 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -72.72 -44.06 62.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.64 177.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -68.78 -30.21 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.906 -176.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 1.6 p -76.97 -13.16 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.959 -179.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 82.38 -0.38 89.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.29 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.451 ' HD1' ' HA ' ' A' ' 810' ' ' TYR . 0.7 OUTLIER -84.78 4.76 31.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.963 0.411 . . . . 0.0 110.906 -177.48 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.532 ' HD1' HD21 ' A' ' 805' ' ' LEU . 46.4 t80 -57.85 -31.9 67.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.457 176.366 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.68 91.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.104 178.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.29 -34.56 78.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.641 -178.338 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.462 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 3.4 t80 -60.63 -42.7 97.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.856 -176.418 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . 0.406 HG13 HD21 ' A' ' 890' ' ' LEU . 0.0 OUTLIER -103.2 13.68 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.035 0.445 . . . . 0.0 111.475 -177.609 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -112.16 -74.0 0.65 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.253 179.23 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 821' ' ' ASP . 1.5 t -85.55 -23.41 27.68 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -174.048 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.78 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 97.3 t -66.14 -57.93 11.98 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.715 -175.229 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.78 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 26.0 Cg_exo -63.4 -37.2 50.79 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 121.839 1.692 . . . . 0.0 111.856 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.83 -33.04 65.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -177.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 817' ' ' THR . 0.4 OUTLIER -66.42 -39.21 88.83 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 175.869 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 15.7 t -60.29 -44.14 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.08 174.471 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -46.05 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.282 175.415 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.708 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 9.4 ttt180 -58.68 -48.18 81.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.362 177.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 5.7 mt -54.77 -45.27 74.22 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.935 178.185 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -33.66 75.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.434 177.768 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 29.1 m -70.37 -42.4 71.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.074 178.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.708 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 1.6 mm-40 -64.41 -36.41 84.08 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.228 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.42 97.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 178.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -66.31 -17.0 64.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.249 178.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.67 6.06 25.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.69 177.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 56.02 31.84 18.8 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.945 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -87.47 72.97 9.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.68 179.322 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.669 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 44.7 m-85 -63.54 -24.8 67.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.57 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.22 97.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.253 0.549 . . . . 0.0 109.733 174.309 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.54 -33.71 60.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.861 179.234 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.671 HD12 ' HB2' ' A' ' 828' ' ' GLU . 0.7 OUTLIER -55.97 -53.26 59.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.36 175.308 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.84 99.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.081 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -60.81 -47.23 87.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.199 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 3.9 m -68.19 -39.22 82.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.948 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -65.48 -31.31 72.31 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.192 0.52 . . . . 0.0 110.64 177.784 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -68.23 -48.35 65.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.84 174.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -47.4 84.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.273 178.001 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.522 ' HA ' HG23 ' A' ' 847' ' ' VAL . 0.1 OUTLIER -61.39 -38.15 86.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.768 -178.272 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.553 ' HD2' ' HG2' ' A' ' 861' ' ' GLU . 0.7 OUTLIER -54.09 -47.42 71.77 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.345 173.586 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -62.46 -42.1 99.73 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.283 -0.872 . . . . 0.0 112.865 -178.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.522 HG23 ' HA ' ' A' ' 844' ' ' LEU . 0.2 OUTLIER -62.56 -50.58 79.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 CA-C-N 116.702 0.251 . . . . 0.0 110.974 -179.343 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.53 ' HD2' ' HA3' ' A' ' 856' ' ' GLY . 4.8 m-85 -65.53 -39.07 91.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.78 -176.492 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.77 87.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.615 177.102 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 847' ' ' VAL . 0.8 OUTLIER -82.28 -15.71 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.93 0.395 . . . . 0.0 110.785 178.25 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' A' ' 848' ' ' PHE . 32.3 mt -91.38 -0.74 57.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.008 176.532 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.53 15.48 4.14 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.042 174.047 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 24.4 mt -89.35 75.55 7.68 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.818 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.517 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 0.2 OUTLIER -55.17 -55.7 36.52 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.437 -175.791 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.517 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 31.5 Cg_exo -59.66 -36.34 92.43 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.842 1.694 . . . . 0.0 112.073 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . 0.53 ' HA3' ' HD2' ' A' ' 848' ' ' PHE . . . -66.5 -43.49 92.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.031 176.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -39.41 94.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.763 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . 0.406 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 0.0 OUTLIER -63.62 -35.07 79.31 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.357 177.617 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.39 -42.45 99.43 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 174.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.422 ' HB2' ' HD3' ' A' ' 845' ' ' LYS . 25.6 m -67.25 -27.6 67.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.17 177.861 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . 0.553 ' HG2' ' HD2' ' A' ' 845' ' ' LYS . 15.1 mm-40 -66.72 -54.13 26.22 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.23 0.538 . . . . 0.0 109.644 175.55 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.3 m -62.33 -37.51 85.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.807 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -57.83 -51.46 69.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.759 177.085 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.41 -41.44 80.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.814 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -63.44 -38.17 90.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.021 178.237 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 7.5 mt -73.85 -27.32 61.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.882 0.372 . . . . 0.0 110.778 179.388 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.596 HG12 HD23 ' A' ' 837' ' ' LEU . 70.6 mt -74.78 -41.16 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.538 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.506 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -63.95 -37.47 87.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.307 176.872 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.506 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.4 OUTLIER -81.21 1.06 33.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 176.359 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp 53.15 48.98 21.0 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.75 175.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.06 87.3 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.185 178.26 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.664 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 74.8 t -51.98 -53.62 49.7 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.564 -175.468 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.664 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 50.8 Cg_exo -55.58 -39.88 88.54 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.953 1.769 . . . . 0.0 112.176 179.234 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.05 93.6 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.581 -0.818 . . . . 0.0 111.482 177.019 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.524 HD11 ' HA ' ' A' ' 867' ' ' ILE . 52.9 mt -58.25 -54.38 33.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.625 0.25 . . . . 0.0 110.845 178.512 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -56.66 -45.35 81.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.073 -178.018 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -40.5 95.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.292 -177.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -73.48 -32.19 64.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -178.413 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.444 ' HA ' HD12 ' A' ' 882' ' ' ILE . 89.4 mt -61.96 -46.77 95.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 0.0 110.438 176.126 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -28.95 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.211 177.303 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.32 -34.96 79.15 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.301 0.572 . . . . 0.0 110.519 174.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 879' ' ' ILE . 53.1 mt -68.95 -32.74 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.937 172.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.6 -43.42 66.25 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.616 -178.489 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 4.3 p -66.69 -32.77 74.29 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.057 177.252 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -57.42 -58.37 8.59 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 122.408 1.099 . . . . 0.0 109.793 174.53 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.438 HG22 ' CZ ' ' A' ' 814' ' ' PHE . 1.0 OUTLIER -64.05 -35.82 74.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 113.329 -1.759 . . . . 0.0 110.514 -177.529 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -55.06 -51.84 65.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.108 176.403 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -33.13 73.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.822 -178.067 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -29.84 64.23 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -177.732 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.406 HD21 HG13 ' A' ' 815' ' ' VAL . 55.5 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.871 -0.585 . . . . 0.0 111.018 178.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . 0.479 ' HG2' ' HA ' ' A' ' 779' ' ' VAL . 40.4 ttp . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 121.122 0.487 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -117.36 -98.06 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -177.234 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.449 ' H ' ' HG3' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -55.64 -42.99 75.78 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -173.923 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -82.51 -23.74 34.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.338 -175.676 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . 0.479 ' HA ' ' HG2' ' A' ' 775' ' ' MET . 1.7 t 49.37 -107.84 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.523 0.515 . . . . 0.0 110.342 -174.175 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . 0.406 ' H ' ' HB ' ' A' ' 779' ' ' VAL . 0.1 OUTLIER -141.35 -69.21 0.38 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.153 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . 0.52 ' HB3' ' H ' ' A' ' 782' ' ' LEU . 0.6 OUTLIER -162.76 -90.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.335 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.787 ' HG ' HG12 ' A' ' 783' ' ' ILE . 30.8 tp -166.78 -84.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.453 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.787 HG12 ' HG ' ' A' ' 782' ' ' LEU . 41.0 mm -105.6 -78.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.01 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.451 ' HB3' HG22 ' A' ' 785' ' ' VAL . 1.6 mm-40 -174.59 -44.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.565 176.747 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.451 HG22 ' HB3' ' A' ' 784' ' ' GLU . 0.0 OUTLIER -158.4 112.05 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-O 120.973 0.416 . . . . 0.0 110.035 -174.778 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -121.65 123.26 41.49 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.008 174.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 1.1 mt 60.39 35.16 20.56 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.527 0.517 . . . . 0.0 110.541 -177.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -129.88 -37.85 1.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.554 -176.573 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.42 81.18 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.922 0.392 . . . . 0.0 110.871 -176.697 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 791' ' ' GLU . 26.9 mm-40 -135.57 176.3 8.8 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 177.547 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 790' ' ' GLU . 11.8 pt-20 167.94 161.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.377 -1.283 . . . . 0.0 108.865 -179.653 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 12.4 p -163.25 150.07 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.794 0.33 . . . . 0.0 110.987 -177.505 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -156.79 149.14 23.24 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.793 176.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.04 165.52 19.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.132 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 16.1 m -160.33 101.31 1.38 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 120.846 0.355 . . . . 0.0 111.057 -179.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.432 ' HB2' ' H ' ' A' ' 797' ' ' LEU . 97.1 Cg_endo -85.65 -115.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.915 2.41 . . . . 0.0 111.51 174.665 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.432 ' H ' ' HB2' ' A' ' 796' ' ' PRO . 0.9 OUTLIER 63.11 82.85 0.17 Allowed 'General case' 0 C--O 1.236 0.367 0 C-N-CA 122.847 0.459 . . . . 0.0 111.901 173.596 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . -116.2 -61.22 0.34 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.543 176.168 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -148.1 14.27 1.3 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 176.688 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . 0.728 ' HB2' ' HB3' ' A' ' 803' ' ' ALA . 0.6 OUTLIER -88.35 68.01 8.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.293 -0.954 . . . . 0.0 110.808 -175.548 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -61.22 -40.13 92.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.548 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -64.64 -44.81 89.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.469 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . 0.728 ' HB3' ' HB2' ' A' ' 800' ' ' ASP . . . -65.67 -43.08 90.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.517 178.431 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -60.31 -45.83 92.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 178.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 8.7 tp -66.25 -30.93 71.46 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.265 0.555 . . . . 0.0 110.743 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -78.48 -41.15 33.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.088 178.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.08 82.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.147 -178.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . 0.426 ' HB2' ' CD2' ' A' ' 810' ' ' TYR . 1.6 p -70.8 -33.33 70.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.994 0.426 . . . . 0.0 110.203 178.254 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 100.94 -10.33 58.6 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.466 176.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.426 ' CD2' ' HB2' ' A' ' 808' ' ' SER . 13.8 m-85 -80.48 20.73 0.68 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.107 0.48 . . . . 0.0 111.336 -175.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.59 -31.54 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.141 176.179 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.81 85.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.916 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.12 -40.71 96.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.093 0.473 . . . . 0.0 110.53 179.474 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.413 ' O ' ' HB ' ' A' ' 818' ' ' VAL . 64.8 t80 -64.91 -41.37 95.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.349 -178.17 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . 0.695 HG12 HD22 ' A' ' 890' ' ' LEU . 27.7 m -91.85 11.38 2.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.959 -177.622 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -112.87 -66.11 1.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.026 178.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.73 -34.37 30.57 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.933 -173.7 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.484 ' N ' ' HD2' ' A' ' 819' ' ' PRO . 98.2 t -60.33 -52.62 71.75 Favored Pre-proline 0 CA--C 1.537 0.452 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.425 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 818' ' ' VAL . 12.3 Cg_endo -57.24 -39.49 89.77 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 121.936 1.757 . . . . 0.0 112.561 177.601 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -73.24 -41.69 63.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.719 -178.773 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.61 -43.72 98.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.178 179.134 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 31.7 t -61.93 -43.51 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.587 176.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -63.92 -44.47 92.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 179.041 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -62.8 -38.4 90.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.311 178.304 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.22 -45.49 79.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.956 174.499 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -59.09 -45.94 89.55 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.647 177.391 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 6.8 m -64.28 -45.45 87.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.047 -175.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -76.45 -25.26 54.21 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.326 -177.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.66 94.68 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.028 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.18 75.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.139 176.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.91 -2.96 58.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.448 178.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 15.9 m 63.6 28.65 15.17 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.132 0.491 . . . . 0.0 110.509 -178.51 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -85.55 74.0 10.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.77 179.082 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.609 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 20.0 m-85 -64.86 -23.14 67.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.058 -177.525 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -67.09 -39.47 86.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.078 0.466 . . . . 0.0 110.016 175.127 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.6 -34.95 60.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.609 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 1.4 mp -57.62 -47.14 83.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.299 175.129 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.83 99.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.996 178.253 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -60.26 -46.93 88.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 111.019 178.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 2.3 m -68.58 -38.79 80.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.397 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.92 89.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.074 0.464 . . . . 0.0 110.271 176.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . 0.459 ' HD1' ' CD ' ' A' ' 864' ' ' GLU . 3.1 t60 -64.05 -39.42 94.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.183 175.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.497 ' O ' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -64.42 -45.07 89.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.604 177.909 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 844' ' ' LEU . 11.8 mt -64.28 -42.47 96.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.462 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.474 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 10.0 ttmt -55.54 -44.17 76.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.053 175.679 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -61.21 -50.43 67.25 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.794 -0.639 . . . . 0.0 113.201 -179.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 843' ' ' ARG . 0.7 OUTLIER -67.52 -39.17 81.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 117.122 0.461 . . . . 0.0 111.52 -176.858 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.24 -41.26 94.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.969 0.414 . . . . 0.0 110.077 178.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . 0.547 ' HA ' ' HE3' ' A' ' 857' ' ' LYS . . . -66.71 -36.02 81.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.787 176.442 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 1.5 ttt -65.83 -42.77 90.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.073 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 11.4 mt -84.61 -10.16 57.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.409 177.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 62.12 42.28 9.92 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.973 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.577 HD22 ' HE2' ' A' ' 885' ' ' TYR . 0.7 OUTLIER -82.05 82.81 7.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.714 174.919 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.788 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 2.4 t -45.56 -61.66 2.26 Favored Pre-proline 0 N--CA 1.471 0.612 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -169.594 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.788 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 36.9 Cg_exo -58.11 -43.1 50.74 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 121.855 1.703 . . . . 0.0 112.223 -177.804 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -68.44 -38.0 86.35 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.244 179.642 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . 0.66 ' HA ' ' SG ' ' A' ' 860' ' ' CYS . 0.0 OUTLIER -67.88 -36.87 81.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 0.0 110.257 178.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -64.66 -36.49 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.156 0.503 . . . . 0.0 109.771 175.158 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.0 -48.36 79.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.179 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.66 ' SG ' ' HA ' ' A' ' 857' ' ' LYS . 0.8 OUTLIER -72.12 -25.85 61.89 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.831 -178.65 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.0 -53.91 51.43 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.221 0.534 . . . . 0.0 110.028 174.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . 0.45 ' HB ' ' CE2' ' A' ' 878' ' ' TYR . 0.2 OUTLIER -66.99 -34.36 77.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.639 178.405 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.591 ' O ' HG12 ' A' ' 867' ' ' ILE . 0.0 OUTLIER -58.64 -50.17 74.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.327 175.766 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . 0.459 ' CD ' ' HD1' ' A' ' 842' ' ' HIS . 0.0 OUTLIER -56.37 -41.61 76.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.133 0.492 . . . . 0.0 110.733 179.004 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.93 -39.47 90.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.68 177.171 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 70.1 mt -69.47 -30.1 67.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.476 0.179 . . . . 0.0 110.685 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 863' ' ' LEU . 14.6 mm -68.33 -42.82 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 175.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.486 ' HG3' ' HG2' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.22 -34.8 78.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.727 179.482 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.486 ' HG2' ' HG3' ' A' ' 868' ' ' ARG . 38.3 mm-40 -87.04 -8.85 56.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.985 -179.695 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.28 42.07 18.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.228 -178.538 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -84.73 84.49 7.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.475 ' N ' ' HD2' ' A' ' 873' ' ' PRO . 2.2 t -50.03 -55.06 26.88 Favored Pre-proline 0 CA--C 1.537 0.443 0 O-C-N 123.574 0.546 . . . . 0.0 112.326 -175.392 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 872' ' ' VAL . 11.4 Cg_endo -56.52 -43.83 51.57 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.153 1.902 . . . . 0.0 112.402 178.013 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -64.68 -42.89 97.04 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.802 177.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.477 HG12 HD13 ' A' ' 867' ' ' ILE . 54.8 mt -58.16 -50.78 77.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 177.058 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.6 -48.65 76.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.458 178.688 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -61.03 -49.51 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.275 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.45 ' CE2' ' HB ' ' A' ' 862' ' ' THR . 8.7 m-85 -72.31 -33.98 67.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -174.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . . . . . . . . . 16.0 mt -61.95 -43.37 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 174.003 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 6.2 m -67.98 -31.73 71.65 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.758 177.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . 0.439 ' HB2' ' HA ' ' A' ' 878' ' ' TYR . 0.7 OUTLIER -70.42 -38.57 74.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.021 0.439 . . . . 0.0 110.741 179.774 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 76.9 mt -69.11 -36.16 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.374 0.607 . . . . 0.0 109.875 174.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 9.7 t70 -72.47 -42.66 64.69 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.327 -178.008 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . 0.622 ' HA ' ' HB2' ' A' ' 887' ' ' LYS . 17.6 p -64.73 -28.4 69.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.271 176.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . 0.577 ' HE2' HD22 ' A' ' 853' ' ' LEU . 8.0 t80 -56.07 -53.33 58.35 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 171.234 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.48 ' O ' ' HG ' ' A' ' 890' ' ' LEU . 1.8 m -64.7 -31.52 54.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.454 176.325 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 884' ' ' SER . 0.9 OUTLIER -69.71 -20.43 63.53 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.659 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.12 -30.71 17.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.934 0.397 . . . . 0.0 110.125 174.345 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.04 -50.84 10.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.657 -178.334 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.695 HD22 HG12 ' A' ' 815' ' ' VAL . 1.1 pp . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.046 -176.338 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.615 0.245 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 777' ' ' GLU . 0.0 OUTLIER -64.57 125.21 23.97 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.018 176.424 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 776' ' ' GLN . 3.2 mt-10 77.14 -72.84 0.09 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 124.065 0.853 . . . . 0.0 110.633 176.669 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -81.87 66.11 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.155 178.355 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . . . . . . . . . 1.5 t -68.98 102.74 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.805 -178.615 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 15.8 mt -79.34 63.0 3.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.259 0.552 . . . . 0.0 110.197 179.36 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -131.58 -53.18 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.043 -178.763 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 37.7 tp 50.43 75.33 0.18 Allowed 'General case' 0 C--O 1.238 0.492 0 O-C-N 123.508 0.505 . . . . 0.0 109.739 -175.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.57 HG22 ' HG2' ' A' ' 784' ' ' GLU . 5.9 mt 69.8 -76.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 115.465 -0.789 . . . . 0.0 108.873 -170.366 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.57 ' HG2' HG22 ' A' ' 783' ' ' ILE . 9.3 pt-20 -173.45 25.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.313 174.119 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 1.9 p -97.52 -21.8 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.246 -176.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.43 -60.09 0.43 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.722 0.809 . . . . 0.0 112.162 179.225 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.14 -78.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.675 -178.412 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . . . . . . . . . . . -164.68 138.61 5.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.891 -176.316 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.25 173.01 12.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.8 175.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -67.73 152.96 44.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.026 0.441 . . . . 0.0 110.035 177.208 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.39 168.87 12.77 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.339 -170.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.78 116.65 20.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.598 177.727 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -47.27 13.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.245 176.349 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.95 167.17 0.17 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.534 -179.302 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . 0.417 ' HA ' ' HD2' ' A' ' 796' ' ' PRO . 0.1 OUTLIER 51.76 106.15 0.02 OUTLIER Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.126 0.97 . . . . 0.0 112.121 -177.807 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 795' ' ' SER . 8.5 Cg_endo -50.92 -88.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.867 2.378 . . . . 0.0 111.596 178.204 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . 0.812 HD12 ' HA ' ' A' ' 801' ' ' GLU . 2.8 mm? -96.29 -54.87 3.13 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.354 0.597 . . . . 0.0 109.404 169.167 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 108.78 -54.87 0.53 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -176.181 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . 178.32 132.34 1.7 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 176.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . 0.764 ' HB3' ' HB3' ' A' ' 803' ' ' ALA . 0.3 OUTLIER 65.92 89.02 0.1 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 122.597 0.359 . . . . 0.0 110.751 179.736 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . 0.812 ' HA ' HD12 ' A' ' 797' ' ' LEU . 2.9 mp0 -53.53 -51.26 63.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.3 -175.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -35.89 81.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.111 -177.346 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . 0.764 ' HB3' ' HB3' ' A' ' 800' ' ' ASP . . . -74.05 -42.87 59.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.601 -179.526 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 797' ' ' LEU . 4.6 mm100 -64.7 -37.16 86.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.349 178.103 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 2.8 tp -66.65 -33.48 75.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.277 0.56 . . . . 0.0 110.223 176.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 1.9 t-160 -69.02 -36.82 78.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.753 175.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -78.36 -26.48 46.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.064 -176.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . 0.454 ' HB2' ' HD2' ' A' ' 810' ' ' TYR . 1.4 p -81.49 -17.11 49.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.917 0.389 . . . . 0.0 111.021 -178.692 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 89.57 5.95 71.18 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.617 178.083 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . 0.454 ' HD2' ' HB2' ' A' ' 808' ' ' SER . 75.1 m-85 -91.02 2.54 56.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.985 0.422 . . . . 0.0 110.437 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.535 ' HB2' ' HA ' ' A' ' 806' ' ' HIS . 9.4 t80 -64.81 -39.46 93.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.653 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -62.41 -37.62 86.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.901 0.382 . . . . 0.0 110.59 177.221 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 813' ' ' LEU . 0.0 OUTLIER -66.93 -38.68 86.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.214 175.571 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.539 ' CZ ' HG22 ' A' ' 886' ' ' VAL . 84.4 t80 -59.69 -35.41 74.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.816 178.662 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . 0.489 ' CG1' HD21 ' A' ' 890' ' ' LEU . 10.5 m -100.48 14.17 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.886 0.374 . . . . 0.0 111.371 178.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -101.73 -64.79 1.03 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.384 178.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.51 -40.55 10.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.115 -174.159 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.689 ' HB ' ' HD3' ' A' ' 819' ' ' PRO . 58.5 t -55.9 -56.03 34.77 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -173.573 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.689 ' HD3' ' HB ' ' A' ' 818' ' ' VAL . 33.4 Cg_exo -59.7 -33.62 96.45 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.02 1.813 . . . . 0.0 112.085 -179.286 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.41 -42.43 65.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.452 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.56 -35.01 78.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.533 178.669 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.68 -43.99 99.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.017 0.436 . . . . 0.0 110.149 175.049 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -67.39 -34.03 76.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.148 0.499 . . . . 0.0 110.331 177.077 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.47 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 1.4 ttp180 -65.19 -41.6 94.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.004 175.545 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.515 ' HG ' ' HB ' ' A' ' 840' ' ' THR . 1.9 mt -55.12 -47.57 74.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.988 0.423 . . . . 0.0 110.109 174.611 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -54.77 -45.53 74.25 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.575 0.702 . . . . 0.0 110.459 175.404 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 24.0 m -64.17 -46.18 85.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.516 -177.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 7.8 mm-40 -74.15 -25.93 60.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.01 -177.472 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.49 84.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.996 0.427 . . . . 0.0 109.897 174.007 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -69.44 -29.82 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.988 175.508 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 828' ' ' GLU . 0.3 OUTLIER -78.62 -13.48 59.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.051 176.11 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.59 21.06 12.56 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.721 -175.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -86.11 78.63 9.36 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.145 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.569 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 38.6 m-85 -61.91 -25.54 67.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.411 -179.113 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.7 85.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.16 0.505 . . . . 0.0 109.704 174.347 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -73.86 -36.09 64.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.09 177.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.4 OUTLIER -58.44 -44.72 89.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.404 174.223 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.1 85.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.222 176.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -61.87 -41.57 98.01 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.309 177.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . 0.515 ' HB ' ' HG ' ' A' ' 825' ' ' LEU . 0.0 OUTLIER -71.05 -42.49 69.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.938 0.399 . . . . 0.0 110.426 179.346 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 845' ' ' LYS . . . -61.58 -34.15 75.12 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.351 175.691 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -61.16 -49.43 77.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.618 176.781 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -42.88 94.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.717 179.068 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 844' ' ' LEU . 6.0 mt -66.21 -46.42 77.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -177.504 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.444 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 0.0 OUTLIER -60.75 -37.3 81.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.09 178.527 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -66.45 -51.23 44.26 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.068 -0.586 . . . . 0.0 112.63 178.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.644 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 9.8 p -68.81 -36.2 73.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.938 0.369 . . . . 0.0 111.476 -177.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -66.67 -38.23 86.41 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.813 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . 0.62 ' HB2' ' HD2' ' A' ' 857' ' ' LYS . . . -64.6 -32.5 74.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.103 0.478 . . . . 0.0 110.283 175.03 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.22 -35.74 80.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.579 177.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 0.4 OUTLIER -86.93 -7.03 58.57 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.601 0.238 . . . . 0.0 110.406 175.525 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 71.84 19.57 4.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.089 177.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.49 81.93 2.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.568 177.844 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.497 ' HB ' ' CD ' ' A' ' 855' ' ' PRO . 3.4 t -52.36 -61.02 5.08 Favored Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.924 -174.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.497 ' CD ' ' HB ' ' A' ' 854' ' ' VAL . 8.1 Cg_endo -52.77 -43.72 53.69 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.413 2.075 . . . . 0.0 112.648 -178.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -66.98 -45.78 79.67 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.167 178.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . 0.62 ' HD2' ' HB2' ' A' ' 849' ' ' ALA . 23.4 tttt -62.6 -39.9 95.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.836 0.35 . . . . 0.0 110.107 178.361 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . 0.506 ' HA ' ' HG3' ' A' ' 861' ' ' GLU . 8.2 tp60 -66.53 -34.43 77.89 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.42 178.686 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -44.85 86.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . . . . . . . . . 8.9 m -66.2 -35.57 80.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.076 177.171 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . 0.506 ' HG3' ' HA ' ' A' ' 858' ' ' GLN . 1.6 mt-10 -62.78 -48.31 79.7 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.064 0.459 . . . . 0.0 110.351 177.004 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 1.2 m -66.41 -33.26 75.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.574 178.211 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -46.33 89.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.214 174.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.18 -42.5 81.3 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.208 0.528 . . . . 0.0 110.183 176.084 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . 0.827 ' HA ' ' HG2' ' A' ' 868' ' ' ARG . 12.1 t60 -68.49 -29.55 68.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.26 179.199 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . 0.561 HD22 ' HA3' ' A' ' 874' ' ' GLY . 13.8 mt -75.46 -28.91 59.46 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.025 0.44 . . . . 0.0 110.258 176.476 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 834' ' ' PHE . 4.3 mt -72.2 -45.43 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.967 175.485 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.827 ' HG2' ' HA ' ' A' ' 865' ' ' HIS . 0.0 OUTLIER -64.69 -36.26 83.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.736 178.793 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.563 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 0.3 OUTLIER -82.42 -12.13 58.08 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 178.742 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 870' ' ' LYS . 0.0 OUTLIER 57.92 64.76 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.324 -178.279 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -117.2 91.8 3.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.26 176.061 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.698 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 86.4 t -54.24 -54.95 42.13 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.046 -178.129 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.698 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 52.7 Cg_exo -56.17 -39.8 88.93 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.055 1.837 . . . . 0.0 112.159 178.756 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . 0.561 ' HA3' HD22 ' A' ' 866' ' ' LEU . . . -62.93 -49.84 68.84 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.854 177.294 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 879' ' ' ILE . 55.9 mt -57.1 -49.14 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.732 0.301 . . . . 0.0 110.221 177.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.57 -49.56 72.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.258 -179.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -36.19 82.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.376 -178.015 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -74.72 -32.2 62.08 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.031 -178.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 875' ' ' ILE . 89.4 mt -66.86 -41.44 87.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.057 175.321 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -33.22 71.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.955 0.407 . . . . 0.0 109.993 177.138 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -46.03 79.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.379 176.374 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 885' ' ' TYR . 0.5 OUTLIER -64.69 -32.31 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 178.166 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 887' ' ' LYS . 7.5 t70 -71.68 -44.1 64.85 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.068 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -38.6 83.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.772 -1.103 . . . . 0.0 109.77 173.861 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . 0.487 ' OH ' ' HG2' ' A' ' 855' ' ' PRO . 25.3 t80 -59.16 -57.49 12.81 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 122.528 1.156 . . . . 0.0 110.553 178.569 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.539 HG22 ' CZ ' ' A' ' 814' ' ' PHE . 1.5 t -62.41 -34.2 63.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 113.292 -1.776 . . . . 0.0 110.28 -178.378 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 883' ' ' ASP . 0.1 OUTLIER -66.62 -33.58 75.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.704 178.3 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.99 -29.85 39.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 0.0 110.498 178.226 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -21.36 60.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.042 0.448 . . . . 0.0 110.619 177.328 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.489 HD21 ' CG1' ' A' ' 815' ' ' VAL . 14.4 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.459 -0.782 . . . . 0.0 110.627 176.368 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 775' ' ' MET . . . . . 0.546 ' HG3' HG22 ' A' ' 779' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.261 0.553 . . . . 0.0 110.752 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.23 90.53 3.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.565 -179.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 777' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.41 -48.28 0.65 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.761 0.824 . . . . 0.0 111.018 -178.037 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -83.93 67.06 9.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.494 178.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 779' ' ' VAL . . . . . 0.546 HG22 ' HG3' ' A' ' 775' ' ' MET . 4.3 t -74.93 -67.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.695 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 780' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.57 158.41 31.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.011 173.863 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 781' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -104.6 -96.37 0.33 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.219 0.533 . . . . 0.0 109.826 177.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.691 ' HG ' ' H ' ' A' ' 783' ' ' ILE . 0.8 OUTLIER -141.81 -49.16 0.38 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.776 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 783' ' ' ILE . . . . . 0.691 ' H ' ' HG ' ' A' ' 782' ' ' LEU . 1.3 tp -152.37 -131.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 172.57 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.504 ' N ' HG23 ' A' ' 783' ' ' ILE . 2.4 mt-10 -119.44 -61.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 119.257 0.935 . . . . 0.0 110.276 178.356 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.587 ' HB ' ' HB3' ' A' ' 788' ' ' ALA . 0.4 OUTLIER -134.52 87.68 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.111 179.572 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 786' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -82.09 -44.73 16.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.207 0.527 . . . . 0.0 109.922 -178.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 787' ' ' LEU . . . . . . . . . . . . . 5.7 mt -104.06 43.08 1.12 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.186 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 788' ' ' ALA . . . . . 0.587 ' HB3' ' HB ' ' A' ' 785' ' ' VAL . . . -152.58 -176.44 5.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.935 -179.272 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 789' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.68 47.94 14.89 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.742 0.651 . . . . 0.0 110.809 -177.41 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 790' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.49 124.03 19.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.694 175.74 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 791' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -173.89 64.22 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.82 -174.603 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 792' ' ' VAL . . . . . . . . . . . . . 18.8 m -82.3 150.65 4.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.422 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 793' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.13 -63.47 0.85 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -175.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 794' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.21 165.73 0.26 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.669 0.605 . . . . 0.0 110.136 -172.227 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.8 98.42 5.28 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-O 120.81 0.338 . . . . 0.0 111.087 -177.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 796' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -71.26 146.96 52.35 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.195 1.93 . . . . 0.0 111.321 174.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 797' ' ' LEU . . . . . . . . . . . . . 6.1 mt -69.85 -69.09 0.37 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.289 178.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 798' ' ' GLY . . . . . . . . . . . . . . . 130.33 -100.87 0.49 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.091 176.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 799' ' ' GLY . . . . . . . . . . . . . . . -162.16 24.7 0.22 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.451 -0.88 . . . . 0.0 113.112 -177.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 800' ' ' ASP . . . . . 0.41 ' HB3' ' HB3' ' A' ' 803' ' ' ALA . 0.3 OUTLIER -111.14 90.51 3.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.28 0.562 . . . . 0.0 109.499 177.5 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 801' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.71 -32.06 72.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.31 -172.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 802' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -64.64 -40.46 95.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.012 0.434 . . . . 0.0 110.33 176.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 803' ' ' ALA . . . . . 0.41 ' HB3' ' HB3' ' A' ' 800' ' ' ASP . . . -66.07 -42.42 89.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.463 178.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 804' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -40.94 99.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.835 178.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 805' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -29.92 67.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 -179.175 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 811' ' ' TYR . 10.5 t-160 -76.15 -37.81 57.52 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.315 174.621 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 807' ' ' ALA . . . . . . . . . . . . . . . -63.24 -37.06 85.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.338 179.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 808' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -33.04 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.037 177.138 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 809' ' ' GLY . . . . . . . . . . . . . . . 103.01 8.62 41.52 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.668 177.101 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 810' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -96.57 13.01 29.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.342 0.592 . . . . 0.0 111.077 -177.613 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 811' ' ' TYR . . . . . 0.633 ' OH ' ' HA ' ' A' ' 890' ' ' LEU . 4.8 t80 -60.74 -30.71 70.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.685 174.144 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 812' ' ' ALA . . . . . . . . . . . . . . . -58.66 -48.43 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.388 179.074 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 813' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.16 -32.64 73.88 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.121 0.486 . . . . 0.0 110.194 179.328 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 814' ' ' PHE . . . . . 0.471 ' HE1' ' HE1' ' A' ' 848' ' ' PHE . 18.3 t80 -61.2 -41.6 97.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.079 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 815' ' ' VAL . . . . . . . . . . . . . 28.7 m -93.41 -0.83 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.823 0.344 . . . . 0.0 111.607 -178.294 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 816' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -94.82 -66.37 0.92 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.795 -175.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 817' ' ' THR . . . . . . . . . . . . . 1.6 t -102.82 -18.47 15.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -171.175 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 818' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 822' ' ' VAL . 94.5 t -65.73 -56.52 17.72 Favored Pre-proline 0 CA--C 1.536 0.427 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.789 -175.082 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 819' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 822' ' ' VAL . 21.8 Cg_endo -62.03 -26.05 78.1 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.847 1.698 . . . . 0.0 112.188 178.755 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -33.34 70.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.073 0.464 . . . . 0.0 109.823 177.13 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 821' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.98 -34.42 61.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.64 179.424 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 822' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 819' ' ' PRO . 1.1 m -65.89 -37.4 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.626 -0.43 . . . . 0.0 109.845 174.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 823' ' ' LYS . . . . . 0.604 ' HA ' ' HD2' ' A' ' 826' ' ' TYR . 0.2 OUTLIER -68.42 -38.72 81.48 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 174.792 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.671 ' O ' ' HG2' ' A' ' 828' ' ' GLU . 0.0 OUTLIER -59.66 -45.75 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 174.639 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 1.5 mt -53.26 -47.3 69.2 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.315 0.385 . . . . 0.0 110.515 176.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 826' ' ' TYR . . . . . 0.604 ' HD2' ' HA ' ' A' ' 823' ' ' LYS . 21.0 m-85 -53.7 -45.86 70.54 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.43 175.167 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 827' ' ' THR . . . . . . . . . . . . . 2.8 m -64.07 -46.53 83.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.903 -177.016 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 828' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 824' ' ' ARG . 14.6 mm-40 -72.56 -30.83 64.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.623 -177.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 829' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.78 94.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.638 178.587 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.43 -36.69 78.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.332 179.185 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 831' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.76 8.95 32.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.472 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 832' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.4 35.5 20.62 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.691 0.796 . . . . 0.0 111.005 179.376 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -88.69 71.77 8.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.403 178.084 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 834' ' ' PHE . . . . . 0.632 ' HA ' ' HB2' ' A' ' 837' ' ' LEU . 97.3 m-85 -61.1 -28.07 68.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.571 -179.335 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.02 97.33 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.194 0.521 . . . . 0.0 109.93 174.401 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 836' ' ' ALA . . . . . . . . . . . . . . . -75.81 -34.79 60.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.687 178.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 837' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' A' ' 834' ' ' PHE . 0.8 OUTLIER -57.14 -46.97 82.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.113 174.44 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 838' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.79 98.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.031 177.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 839' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -61.85 -47.41 85.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.633 0.254 . . . . 0.0 111.369 177.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 840' ' ' THR . . . . . . . . . . . . . 5.2 m -63.82 -40.06 95.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.781 179.654 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 841' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.5 87.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.911 0.386 . . . . 0.0 110.23 176.024 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 842' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -65.56 -41.9 92.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.189 176.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -43.85 92.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.221 177.595 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 844' ' ' LEU . . . . . 0.556 ' HA ' HG22 ' A' ' 847' ' ' VAL . 6.4 mt -66.29 -39.18 89.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.635 179.589 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 845' ' ' LYS . . . . . 0.732 ' HE2' ' HG2' ' A' ' 861' ' ' GLU . 23.3 ttmt -58.65 -44.24 90.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.821 175.223 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.26 71.35 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.708 -0.678 . . . . 0.0 113.009 -179.175 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.584 ' O ' ' HG ' ' A' ' 851' ' ' LEU . 29.9 m -67.5 -39.15 81.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 117.223 0.511 . . . . 0.0 111.512 -176.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.471 ' HE1' ' HE1' ' A' ' 814' ' ' PHE . 3.4 m-85 -69.4 -40.89 77.08 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.81 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 849' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.53 88.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.941 0.4 . . . . 0.0 110.331 175.33 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 850' ' ' MET . . . . . . . . . . . . . 32.8 tpp -63.76 -43.74 95.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.692 176.578 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 847' ' ' VAL . 60.7 mt -74.64 -10.78 59.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.214 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 851' ' ' LEU . 0.8 OUTLIER 80.64 18.3 0.56 Allowed 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.655 0.74 . . . . 0.0 109.777 178.167 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 18.0 mt -87.87 80.6 7.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.898 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 854' ' ' VAL . . . . . 0.599 ' HB ' ' HD3' ' A' ' 855' ' ' PRO . 4.4 t -56.8 -52.64 72.24 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.414 -177.542 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 855' ' ' PRO . . . . . 0.599 ' HD3' ' HB ' ' A' ' 854' ' ' VAL . 65.0 Cg_exo -53.2 -47.59 26.67 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 122.36 2.04 . . . . 0.0 112.632 178.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 856' ' ' GLY . . . . . . . . . . . . . . . -61.88 -45.86 95.31 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.992 178.02 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 857' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -63.13 -38.55 91.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.622 0.249 . . . . 0.0 110.46 179.539 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -35.49 79.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.114 178.156 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.55 -45.18 94.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.819 175.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 860' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 844' ' ' LEU . 15.7 m -64.23 -37.32 87.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.32 177.483 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 861' ' ' GLU . . . . . 0.732 ' HG2' ' HE2' ' A' ' 845' ' ' LYS . 15.5 mt-10 -63.15 -45.96 89.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.161 0.505 . . . . 0.0 110.148 177.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 862' ' ' THR . . . . . . . . . . . . . 4.9 m -66.83 -34.62 78.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.585 177.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 863' ' ' LEU . 0.2 OUTLIER -60.52 -47.29 86.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.118 175.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 864' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.48 -45.0 73.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.255 0.55 . . . . 0.0 110.288 176.102 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 865' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -62.04 -44.27 97.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.879 177.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 866' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.35 -36.99 84.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.873 0.368 . . . . 0.0 110.71 179.486 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.525 ' HA ' HD11 ' A' ' 875' ' ' ILE . 43.5 mt -70.19 -39.84 77.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.975 178.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 868' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 869' ' ' GLU . 0.0 OUTLIER -64.28 -33.86 76.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.761 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 869' ' ' GLU . . . . . 0.479 ' N ' ' HG3' ' A' ' 868' ' ' ARG . 10.9 pt-20 -96.52 1.37 51.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.093 0.473 . . . . 0.0 110.682 179.864 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 61.18 36.03 18.21 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.479 173.329 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 871' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -80.55 79.89 7.09 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.007 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 872' ' ' VAL . . . . . 0.67 ' HB ' ' HD3' ' A' ' 873' ' ' PRO . 6.6 t -49.04 -54.04 32.41 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.595 -175.534 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 873' ' ' PRO . . . . . 0.67 ' HD3' ' HB ' ' A' ' 872' ' ' VAL . 52.0 Cg_exo -55.87 -39.97 87.93 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.044 1.829 . . . . 0.0 112.336 178.155 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 874' ' ' GLY . . . . . . . . . . . . . . . -68.61 -37.99 85.61 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.871 178.652 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.525 HD11 ' HA ' ' A' ' 867' ' ' ILE . 47.8 mt -61.84 -55.47 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.416 0.15 . . . . 0.0 111.02 179.322 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 876' ' ' GLU . . . . . 0.493 ' HA ' HD12 ' A' ' 879' ' ' ILE . 4.3 pt-20 -61.71 -40.04 93.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.689 -177.75 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 877' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -42.67 94.98 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.34 177.698 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 878' ' ' TYR . . . . . 0.449 ' HB3' ' HG ' ' A' ' 863' ' ' LEU . 2.4 m-85 -69.75 -32.03 70.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 -179.126 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 879' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 875' ' ' ILE . 78.7 mt -60.55 -45.34 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 880' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -29.06 67.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.981 176.517 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 881' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.23 -39.35 75.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.087 0.47 . . . . 0.0 110.24 178.222 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 882' ' ' ILE . . . . . . . . . . . . . 5.5 mt -67.64 -33.18 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.659 173.541 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 883' ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' A' ' 887' ' ' LYS . 14.0 t0 -69.56 -48.59 59.81 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.422 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 884' ' ' SER . . . . . . . . . . . . . 5.4 p -63.72 -40.41 96.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.574 178.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 885' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -48.71 -56.68 7.86 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 122.16 0.981 . . . . 0.0 109.858 172.428 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 886' ' ' VAL . . . . . 0.672 HG13 HD21 ' A' ' 890' ' ' LEU . 1.2 t -67.3 -37.16 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.142 0 CA-C-N 113.535 -1.666 . . . . 0.0 110.758 -176.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 887' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 883' ' ' ASP . 14.1 mmtm -55.61 -40.97 72.81 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 177.605 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 888' ' ' SER . . . . . . . . . . . . . 1.2 p -90.92 -23.39 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.478 -176.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 889' ' ' LEU . . . . . 0.405 ' HB3' ' CE2' ' A' ' 814' ' ' PHE . 0.1 OUTLIER -81.6 -25.83 35.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -177.469 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.672 HD21 HG13 ' A' ' 886' ' ' VAL . 1.6 pp . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.112 -0.947 . . . . 0.0 110.317 174.999 . . . . . . . . 1 1 . 1 stop_ save_