data_2n9b_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 2n9b _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 89.7 mttt . . . . . 0 N--CA 1.444 -0.727 0 N-CA-C 110.521 -0.177 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -66.06 -46.77 76.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.957 0.408 . . . . 0.0 110.215 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.17 -44.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.938 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.1 -34.86 77.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.78 -48.96 74.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.601 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.23 -40.98 91.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.859 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 49.1 tp -56.14 -42.4 76.87 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.84 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -64.15 -41.24 97.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.987 0.423 . . . . 0.0 110.492 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.75 -41.41 98.02 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.673 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.38 -44.16 97.11 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.465 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.43 -46.59 82.53 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.241 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -68.28 -47.71 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.752 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 26.4 mm -62.5 -43.0 97.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 899' ' ' GLU . . . . . 0.479 ' OE2' ' NH2' ' A' ' 903' ' ' ARG . 83.9 tt0 -56.33 -40.6 74.68 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.871 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.04 -46.47 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.68 -40.07 94.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.669 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -59.07 -44.76 91.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.305 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 903' ' ' ARG . . . . . 0.479 ' NH2' ' OE2' ' A' ' 899' ' ' GLU . 99.5 mtt180 -65.54 -37.48 86.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 89.2 mtp -60.97 -42.02 97.5 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.32 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -65.15 -45.51 84.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.894 0.378 . . . . 0.0 110.531 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.23 -40.42 90.25 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.989 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -61.31 -42.98 99.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.457 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -63.61 -42.53 98.22 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.836 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.08 -38.72 83.74 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.26 0.552 . . . . 0.0 110.07 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.41 -37.98 89.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.985 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 44.8 t -61.43 -41.39 97.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.325 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.95 -42.2 99.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.323 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 76.9 m -61.77 -45.87 92.03 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.12 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.66 -37.51 86.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.298 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.4 -46.1 89.62 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.733 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 39.6 t -62.07 -44.48 96.59 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.277 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 35.0 mt -61.42 -41.29 96.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.214 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -61.47 -39.33 90.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.481 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -60.82 -44.69 96.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.692 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.81 -38.62 86.0 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -60.09 -40.28 89.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.986 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.46 -38.54 91.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.757 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.09 -41.04 87.08 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.193 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -64.04 -45.23 89.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.8 -47.54 71.77 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 121.042 0.449 . . . . 0.0 110.653 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.28 -42.22 95.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.142 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -57.65 -49.14 77.44 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.362 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.01 -47.31 65.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.371 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.46 -40.44 97.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.348 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 930' ' ' LEU . . . . . 0.446 ' C ' ' CD2' ' A' ' 930' ' ' LEU . 7.0 tt -62.34 -44.02 97.46 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.95 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 48.8 m -63.3 -44.55 94.68 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.978 0.418 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.25 -41.34 90.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.41 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.82 -39.79 90.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.79 -43.16 99.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.631 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.31 -46.62 89.54 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.461 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.95 -35.74 78.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.764 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 84.4 tt0 -55.98 -42.02 75.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.04 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.93 -40.46 79.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.435 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.38 -52.55 61.23 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.279 -0.569 . . . . 0.0 111.186 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 940' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' A' ' 941' ' ' ALA . 19.5 m -67.67 -44.25 86.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.628 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 941' ' ' ALA . . . . . 0.455 ' N ' ' CG2' ' A' ' 940' ' ' VAL . . . -56.02 -40.19 73.05 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.795 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -62.17 -45.53 93.01 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.919 -0.712 . . . . 0.0 109.857 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.38 -38.14 89.1 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.348 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 949' ' ' GLU . 2.4 mptm? -56.08 -37.08 68.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.72 -36.87 77.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.5 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 946' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 946' ' ' LEU . 9.5 mp -59.92 -45.85 91.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.132 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 57.4 t -71.52 -42.65 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.67 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 948' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 949' ' ' GLU . . . 154.39 40.9 0.02 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 948' ' ' GLY . 82.5 tt0 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.501 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.908 0.385 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -54.25 -28.99 45.2 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.828 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -62.47 -45.46 92.92 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.49 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -65.96 -46.5 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.273 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.61 -44.79 99.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.929 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.53 -34.9 78.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.6 -48.96 75.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.447 . . . . 0.0 110.555 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.13 -41.43 92.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.747 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.87 -42.3 75.67 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.894 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -64.6 -41.16 96.41 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.506 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.63 -41.64 98.24 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.425 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.88 -44.47 96.74 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.529 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.54 -46.68 81.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.338 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -68.15 -47.71 67.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.799 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 26.7 mm -62.27 -42.9 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 899' ' ' GLU . . . . . 0.471 ' OE2' ' NH2' ' B' ' 903' ' ' ARG . 84.0 tt0 -56.45 -40.73 75.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.896 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.04 -46.69 88.06 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.35 -40.37 95.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.826 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -59.04 -44.44 91.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.91 0.386 . . . . 0.0 110.263 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 903' ' ' ARG . . . . . 0.471 ' NH2' ' OE2' ' B' ' 899' ' ' GLU . 99.6 mtt180 -65.63 -37.23 86.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.451 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 88.9 mtp -60.95 -42.21 97.81 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.257 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -65.2 -45.49 84.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.965 0.412 . . . . 0.0 110.685 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.14 -40.58 90.7 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.105 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -61.24 -42.71 99.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.561 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -63.74 -42.44 97.87 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.776 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.17 -39.28 85.89 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.173 0.511 . . . . 0.0 110.043 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.11 -37.84 88.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.029 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 39.3 t -61.59 -41.31 97.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.277 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.9 -42.38 99.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.337 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 71.9 m -61.93 -45.43 93.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.153 0.501 . . . . 0.0 109.995 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.54 -37.47 86.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.052 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.16 89.9 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 42.1 t -62.01 -44.57 96.44 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.31 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.64 -40.79 96.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.197 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -62.03 -39.59 92.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.425 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -60.57 -44.3 96.33 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.775 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.75 -38.75 86.25 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.623 -0.431 . . . . 0.0 109.935 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.25 -40.51 90.58 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.231 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.52 -38.0 89.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.92 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -59.16 -41.07 87.49 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.252 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -63.99 -45.31 89.58 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.589 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.31 -47.61 72.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 121.043 0.449 . . . . 0.0 110.586 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.25 -42.21 95.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.119 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -57.61 -49.09 77.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.331 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -69.29 -47.4 64.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.711 0.291 . . . . 0.0 111.545 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.48 -40.35 96.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.23 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 930' ' ' LEU . . . . . 0.45 ' C ' ' CD2' ' B' ' 930' ' ' LEU . 7.1 tt -62.41 -43.91 97.69 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.896 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 53.1 m -63.44 -44.26 95.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.993 0.425 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.24 -41.44 90.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.278 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.72 -40.41 92.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.767 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.35 -42.68 99.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.55 -46.63 89.09 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.49 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.31 -35.31 77.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.69 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 937' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 83.8 tt0 -55.73 -42.87 75.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.837 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.09 -40.44 82.63 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.361 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -63.68 -52.74 59.31 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.227 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 940' ' ' VAL . . . . . 0.454 ' CG2' ' N ' ' B' ' 941' ' ' ALA . 18.5 m -67.8 -43.68 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.565 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 941' ' ' ALA . . . . . 0.454 ' N ' ' CG2' ' B' ' 940' ' ' VAL . . . -56.08 -40.72 74.05 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.839 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -62.04 -45.57 92.98 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.704 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.06 -38.83 92.1 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.492 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 944' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' B' ' 949' ' ' GLU . 2.4 mptm? -55.4 -37.36 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.68 -36.72 77.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.494 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 946' ' ' LEU . . . . . 0.477 ' N ' ' CD1' ' B' ' 946' ' ' LEU . 9.3 mp -60.07 -45.61 92.31 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.215 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.39 -42.64 73.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.59 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 154.11 41.3 0.02 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' B' ' 944' ' ' LYS . 84.1 tt0 . . . . . 0 C--O 1.217 -0.606 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.51 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 85.7 mttt . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 120.535 0.207 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.95 -49.48 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.962 0.41 . . . . 0.0 109.947 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.74 -44.84 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.021 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -66.93 -35.54 80.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.756 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.46 -44.54 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.42 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.51 -43.22 98.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.134 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 78.4 mt -59.54 -40.12 86.21 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.474 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.16 -38.42 91.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.047 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.79 -38.77 92.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.606 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.22 -41.36 97.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 110.175 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.62 -45.0 63.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.147 0.498 . . . . 0.0 110.862 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -67.68 -48.73 65.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.306 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 898' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 899' ' ' GLU . 10.1 tp -61.39 -41.81 91.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.12 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 899' ' ' GLU . . . . . 0.452 ' N ' ' CG2' ' A' ' 898' ' ' ILE . 82.3 tt0 -59.54 -38.6 81.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.911 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.13 -43.77 98.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.233 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.03 -39.14 93.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.423 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -59.47 -46.67 88.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.77 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -65.17 -38.54 90.86 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.29 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 91.9 mtp -62.23 -43.26 99.22 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.433 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -68.06 -46.63 70.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.839 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.57 -45.15 80.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.302 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.31 -40.96 96.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.605 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -64.61 -46.33 83.09 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.916 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.94 -38.42 82.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.936 0.398 . . . . 0.0 110.438 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.61 -40.44 95.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.947 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 67.0 m -61.63 -43.4 98.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.464 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 9.9 mp -64.38 -38.1 89.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 81.7 m -58.79 -48.74 80.21 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.226 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.63 -42.79 99.79 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.137 0.494 . . . . 0.0 110.459 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.11 -39.01 93.13 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.593 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 71.0 m -59.45 -43.15 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.687 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.77 -41.65 97.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -57.91 -44.98 87.13 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.535 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.44 -40.35 90.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.346 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 7.4 mp -58.23 -38.36 76.69 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.586 -0.445 . . . . 0.0 109.95 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.96 -42.0 98.63 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.048 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.72 -37.55 84.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.889 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.38 -38.26 88.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.082 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.35 -41.38 98.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.013 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.12 -48.93 76.42 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.709 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 88.1 t -65.3 -41.11 90.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.034 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -56.24 -48.67 76.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.886 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.309 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.36 -38.55 91.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.215 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 5.1 tt -61.5 -44.13 97.63 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.216 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 11.6 t -64.27 -43.99 93.09 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.748 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.82 -42.24 97.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.337 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -58.88 -40.68 85.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.059 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -62.15 -46.09 90.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 935' ' ' HIS . . . . . 0.524 ' CE1' ' OE2' ' A' ' 939' ' ' GLU . 10.8 t-160 -65.97 -45.22 82.5 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.905 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 9.7 mp -65.73 -39.48 91.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.399 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 28.7 mm-40 -57.85 -44.06 86.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.52 -40.14 92.63 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 939' ' ' GLU . . . . . 0.524 ' OE2' ' CE1' ' A' ' 935' ' ' HIS . 97.8 mt-10 -66.38 -53.08 40.07 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.566 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 940' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' A' ' 941' ' ' ALA . 15.3 m -67.33 -46.36 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.712 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 941' ' ' ALA . . . . . 0.469 ' N ' ' CG2' ' A' ' 940' ' ' VAL . . . -56.4 -40.62 74.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.413 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.27 -44.9 95.48 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.422 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.04 -40.53 87.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.301 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.57 -37.91 85.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -53.52 -34.47 58.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.23 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.76 -50.13 74.72 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.242 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 76.6 t -73.82 -42.16 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . -172.64 -78.21 0.05 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.871 -1.061 . . . . 0.0 110.539 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -53.38 -29.1 32.87 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.956 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.19 -45.6 91.0 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -65.38 -48.85 71.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 109.988 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.1 -44.77 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 0.0 110.132 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.0 -35.58 80.27 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.719 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.58 -44.91 85.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.81 -43.47 97.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.234 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.11 -40.96 87.02 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.481 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.41 -38.98 91.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.104 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.31 -39.05 93.5 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -63.91 -41.26 97.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.042 0.449 . . . . 0.0 110.167 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.64 -45.01 63.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.104 0.478 . . . . 0.0 110.923 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -67.78 -48.46 66.28 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.253 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 898' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' B' ' 899' ' ' GLU . 10.3 tp -61.48 -41.45 90.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 899' ' ' GLU . . . . . 0.437 ' N ' ' CG2' ' B' ' 898' ' ' ILE . 80.3 tt0 -59.86 -38.6 82.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.892 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.11 -44.04 97.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.264 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.89 -39.09 93.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.467 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -59.55 -46.29 89.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.716 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -65.63 -38.35 89.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.34 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 92.7 mtp -62.22 -43.05 99.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.922 0.391 . . . . 0.0 110.516 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -68.26 -46.83 69.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.761 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.44 -44.69 82.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.333 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.47 -41.57 97.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.711 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -64.47 -46.0 84.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.828 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.76 -39.32 84.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.986 0.422 . . . . 0.0 110.466 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 68.7 mt -64.31 -40.0 95.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.871 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 68.7 m -61.55 -43.38 98.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.626 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.9 -38.02 89.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 75.1 m -58.78 -48.3 81.72 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.228 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -63.1 -42.0 99.5 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.109 0.48 . . . . 0.0 110.43 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.49 93.77 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.626 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 66.8 m -59.19 -43.63 92.21 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.665 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.24 -41.76 97.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -57.83 -45.12 86.65 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.574 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -60.12 -40.57 90.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.358 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 7.4 mp -58.06 -38.58 76.58 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.82 -41.77 98.2 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.016 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.01 -37.05 83.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.827 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.92 -38.47 91.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.07 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.01 -41.3 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.119 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.18 -48.87 76.53 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.612 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 91.9 t -65.4 -41.24 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.146 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -56.11 -47.96 77.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.4 -46.5 89.89 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.2 -38.56 89.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.972 0.415 . . . . 0.0 109.983 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.49 -44.36 97.23 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.33 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 11.1 t -63.9 -44.07 94.07 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.728 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.88 -42.41 97.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.417 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -58.93 -40.27 84.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.979 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -62.5 -46.12 89.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.837 0.351 . . . . 0.0 110.452 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 935' ' ' HIS . . . . . 0.527 ' CE1' ' OE2' ' B' ' 939' ' ' GLU . 11.0 t-160 -65.93 -45.43 81.91 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.801 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.35 -40.13 93.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.472 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 937' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 28.4 mm-40 -57.19 -44.18 83.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.361 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.28 -40.58 94.06 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.902 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 939' ' ' GLU . . . . . 0.527 ' OE2' ' CE1' ' B' ' 935' ' ' HIS . 97.9 mt-10 -65.91 -53.13 43.49 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.643 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 940' ' ' VAL . . . . . 0.47 ' CG2' ' N ' ' B' ' 941' ' ' ALA . 15.5 m -67.34 -46.18 84.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.767 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 941' ' ' ALA . . . . . 0.47 ' N ' ' CG2' ' B' ' 940' ' ' VAL . . . -56.4 -40.99 75.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.323 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -62.0 -45.3 94.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.007 0.432 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 38.7 mt -66.84 -40.7 88.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.252 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -61.33 -37.68 84.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.526 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -53.67 -34.61 59.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.34 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.81 -50.89 71.62 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.198 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 78.5 t -72.75 -42.32 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 110.347 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . -172.14 -77.73 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.47 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt . . . . . 0 N--CA 1.447 -0.615 0 CA-C-O 120.449 0.166 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.04 -43.56 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.408 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.73 -44.41 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.348 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.69 -41.55 87.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.02 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -63.56 -45.53 90.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.557 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.23 -40.19 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 892' ' ' LEU . . . . . 0.514 ' CG ' ' HZ2' ' A' ' 896' ' ' LYS . 50.1 tp -59.17 -42.67 91.34 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.201 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.14 -39.33 93.8 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.175 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.09 -39.31 94.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.985 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.32 -41.69 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.129 0.49 . . . . 0.0 110.225 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 896' ' ' LYS . . . . . 0.514 ' HZ2' ' CG ' ' A' ' 892' ' ' LEU . 61.6 mttp -69.77 -44.61 69.81 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.749 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -68.51 -49.95 55.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.795 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 898' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 899' ' ' GLU . 9.8 tp -60.65 -41.97 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 899' ' ' GLU . . . . . 0.451 ' N ' ' CG2' ' A' ' 898' ' ' ILE . 90.1 mt-10 -62.22 -38.3 88.63 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.53 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -61.56 -41.23 97.08 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.072 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.4 -41.78 88.8 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.69 -39.29 93.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.51 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -63.21 -42.03 99.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.699 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 62.5 mtt -64.52 -41.96 96.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.516 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 905' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' A' ' 909' ' ' GLU . 13.6 tttp -62.36 -46.44 88.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.246 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.62 -44.95 88.9 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.786 -0.365 . . . . 0.0 111.01 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -65.74 -39.94 91.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.219 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -63.18 -45.62 90.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.173 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' A' ' 905' ' ' LYS . 98.2 mt-10 -65.52 -41.23 93.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.103 0.477 . . . . 0.0 110.268 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.55 -40.5 95.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.501 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 11.2 t -62.91 -42.32 99.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.059 0.457 . . . . 0.0 110.59 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.36 -39.54 94.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.601 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 71.8 m -61.42 -47.98 83.29 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.102 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.42 -43.87 84.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.7 -40.82 96.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.935 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 11.5 t -60.41 -40.68 91.87 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.327 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.9 -41.8 96.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.184 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -60.27 -39.04 85.43 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.061 -0.655 . . . . 0.0 110.351 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -62.43 -42.05 99.17 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.588 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.76 -39.39 84.67 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.9 -40.63 93.82 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.08 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.79 -39.13 93.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.085 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -59.62 -39.66 84.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.57 -43.86 97.76 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.068 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -64.21 -47.26 80.4 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 82.6 t -65.19 -43.99 95.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.461 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -57.92 -48.86 78.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.756 0.312 . . . . 0.0 110.585 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.11 -39.81 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.24 -41.75 98.71 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.75 -44.35 97.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.388 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 62.7 m -61.97 -43.54 98.63 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.97 -39.45 93.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.505 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -60.38 -41.62 94.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.189 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -63.52 -44.22 94.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.731 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -61.53 -45.8 92.63 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.431 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.89 -36.51 80.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.144 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -56.66 -43.06 79.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -68.38 -40.69 81.31 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.724 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -63.17 -52.1 63.75 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.283 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 16.2 m -67.97 -40.72 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.403 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.2 93.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.317 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.63 -46.2 89.34 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.489 -0.485 . . . . 0.0 109.968 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.23 -37.13 83.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.94 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.95 -38.32 64.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.072 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.13 -35.39 73.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.66 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.57 -46.52 89.92 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.037 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 75.3 t -72.0 -42.58 68.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.354 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.31 49.54 0.02 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.636 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.92 0.39 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -56.17 -29.53 60.94 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.051 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -62.5 -45.45 92.94 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.898 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -67.37 -43.38 81.58 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.516 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.59 -44.53 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.19 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.69 -41.66 87.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.182 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -63.34 -45.75 89.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.542 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.25 -40.22 88.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.865 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 892' ' ' LEU . . . . . 0.516 ' CG ' ' HZ2' ' B' ' 896' ' ' LYS . 52.1 tp -59.0 -42.68 90.65 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.913 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -64.07 -39.74 94.72 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.254 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.07 -39.77 95.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.796 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.68 -41.39 92.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.502 . . . . 0.0 110.058 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 896' ' ' LYS . . . . . 0.516 ' HZ2' ' CG ' ' B' ' 892' ' ' LEU . 61.7 mttp -69.86 -44.86 68.98 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.808 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.7 -49.59 57.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.852 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 898' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' B' ' 899' ' ' GLU . 9.8 tp -60.79 -42.01 90.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 899' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' B' ' 898' ' ' ILE . 89.2 mt-10 -62.21 -38.41 89.05 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.5 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -61.58 -41.23 97.12 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.186 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.4 mp -66.47 -41.66 88.68 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.77 -39.4 94.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.422 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 42.8 mmm-85 -63.03 -42.28 99.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.91 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 62.7 mtt -64.31 -42.24 96.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.406 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 905' ' ' LYS . . . . . 0.483 ' NZ ' ' OE2' ' B' ' 909' ' ' GLU . 13.7 tttp -61.64 -46.51 89.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.167 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.59 -45.26 87.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.764 0.316 . . . . 0.0 111.11 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -65.73 -40.11 91.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -63.13 -45.54 91.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.142 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 909' ' ' GLU . . . . . 0.483 ' OE2' ' NZ ' ' B' ' 905' ' ' LYS . 97.3 mt-10 -65.79 -40.84 92.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.893 0.377 . . . . 0.0 110.251 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.84 -40.4 95.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.521 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 11.0 t -62.67 -42.21 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 0.0 110.507 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.9 mt -63.58 -39.77 95.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.656 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 73.8 m -61.48 -47.81 83.95 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.053 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.18 -44.01 85.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.64 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.8 -40.72 95.69 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.973 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 11.4 t -60.57 -40.55 92.08 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.053 0.454 . . . . 0.0 110.271 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.0 -41.96 97.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.21 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -60.08 -38.9 84.25 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.302 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -62.68 -42.21 99.5 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.664 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.61 -39.39 84.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.8 -41.22 95.2 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.105 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.28 -39.66 93.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.04 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -58.82 -39.74 82.08 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.83 -43.88 97.61 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.167 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -63.98 -47.42 80.45 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.77 -44.17 96.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.434 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -58.08 -48.85 78.9 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.632 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.12 -39.87 86.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.416 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.37 -41.55 98.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.05 -44.13 97.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.303 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 58.8 m -61.91 -43.63 98.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.81 -39.43 93.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.561 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.39 -41.67 94.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.207 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -63.47 -44.33 94.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.651 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -61.15 -45.71 93.5 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.398 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 93.7 mt -68.07 -36.58 80.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.218 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 937' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -56.75 -42.91 80.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.358 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -68.39 -41.14 80.92 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.602 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -62.74 -52.2 64.17 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.392 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 16.0 m -67.82 -40.62 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.407 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 941' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.3 94.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.19 -46.32 89.43 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.104 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.5 -37.0 82.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.042 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.94 -38.4 64.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.916 0.388 . . . . 0.0 109.972 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.11 -35.46 73.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.685 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.24 -46.58 89.28 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.046 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.13 -42.69 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.443 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.32 49.22 0.02 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.655 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 56.2 mttm . . . . . 0 N--CA 1.444 -0.766 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -65.31 -49.41 69.58 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.09 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.72 -44.77 97.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.069 0.462 . . . . 0.0 110.091 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -66.06 -34.59 78.43 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.866 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.52 -46.44 82.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.508 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.44 -44.11 97.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.336 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 80.3 mt -56.95 -40.0 75.61 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.972 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.74 -38.91 92.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.266 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.37 -39.31 93.61 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.14 -41.49 94.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 109.947 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.51 -43.94 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.015 0.436 . . . . 0.0 110.806 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -68.56 -48.15 64.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.273 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 898' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 899' ' ' GLU . 10.4 tp -62.94 -41.83 94.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.033 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 899' ' ' GLU . . . . . 0.511 ' OE2' ' NH2' ' A' ' 903' ' ' ARG . 81.2 tt0 -60.41 -39.79 88.65 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.047 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.82 -44.32 97.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.46 -40.94 98.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -59.37 -39.36 83.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.174 0.511 . . . . 0.0 110.366 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 903' ' ' ARG . . . . . 0.511 ' NH2' ' OE2' ' A' ' 899' ' ' GLU . 99.3 mtt180 -73.45 -35.2 65.71 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.62 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 68.6 mmm -61.35 -47.43 85.92 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.1 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 905' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 906' ' ' GLU . 51.1 pttt -69.76 -42.88 73.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.819 0.342 . . . . 0.0 110.673 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 905' ' ' LYS . 94.9 mt-10 -65.41 -40.3 93.22 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.949 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -69.29 -38.2 78.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.634 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.39 -47.26 82.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.432 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.43 -36.83 82.0 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.334 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.14 -43.06 99.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.409 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 35.9 t -64.29 -41.98 96.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.504 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.01 -40.01 96.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.413 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 79.4 m -59.68 -48.02 83.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.73 -38.34 90.75 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.014 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.54 94.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 47.8 t -60.12 -43.05 95.91 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.851 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.06 -40.73 96.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.55 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -60.48 -42.44 96.28 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 919' ' ' LYS . . . . . 0.552 ' NZ ' ' NZ ' ' B' ' 919' ' ' LYS . 43.4 mmtm -60.8 -41.93 96.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.608 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.14 -38.78 80.51 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.072 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.84 -41.52 95.99 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.256 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.4 -39.13 92.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.045 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.8 -41.18 86.15 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.054 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.73 -42.61 99.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.087 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.06 -47.04 81.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.546 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.43 -44.1 98.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.25 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -56.31 -48.08 77.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.38 -37.86 88.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.126 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.92 -42.09 99.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.088 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.32 -42.62 99.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.586 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 67.6 m -59.14 -43.31 92.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.446 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -65.13 -41.83 94.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.248 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -60.78 -42.15 96.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.233 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -59.97 -44.73 94.28 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.921 0.391 . . . . 0.0 110.325 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -60.61 -44.63 96.07 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.712 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.6 -39.32 93.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.384 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 84.0 mt-10 -55.95 -42.63 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.23 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -66.62 -41.55 88.19 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.481 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.58 -52.76 55.87 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.284 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 18.3 m -66.58 -40.76 87.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.293 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 941' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -57.17 -41.11 78.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.108 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.15 -45.67 93.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.508 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.5 -42.25 95.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.048 0.452 . . . . 0.0 110.82 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 949' ' ' GLU . 51.7 mtmt -63.93 -39.71 94.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -59.54 -39.12 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.409 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.5 -44.62 95.92 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.606 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.24 -42.38 74.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.534 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.42 43.5 0.03 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 944' ' ' LYS . 97.1 mt-10 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.623 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.961 0.41 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.27 -29.51 47.27 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -61.92 -45.22 94.65 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.376 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -65.48 -48.93 70.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.89 0.376 . . . . 0.0 110.241 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 91.8 t -60.65 -44.84 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.248 0.547 . . . . 0.0 110.004 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.89 -34.92 79.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.775 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.43 -46.14 84.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.626 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.05 -43.71 98.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.221 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 79.9 mt -56.8 -40.22 75.56 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.833 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.81 -38.55 91.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.05 -38.71 91.7 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.694 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.44 -41.43 93.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.166 0.507 . . . . 0.0 109.807 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -71.2 -44.59 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.107 0.479 . . . . 0.0 110.768 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.29 -48.01 66.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.414 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 898' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' B' ' 899' ' ' GLU . 10.6 tp -63.11 -41.86 94.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.02 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 899' ' ' GLU . . . . . 0.492 ' OE2' ' NH2' ' B' ' 903' ' ' ARG . 79.8 tt0 -60.05 -40.38 89.22 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.156 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.45 -43.95 97.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.456 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.79 -40.97 97.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -59.36 -39.12 82.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.115 0.483 . . . . 0.0 110.364 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 903' ' ' ARG . . . . . 0.492 ' NH2' ' OE2' ' B' ' 899' ' ' GLU . 99.3 mtt180 -73.69 -35.24 65.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.684 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 69.0 mmm -61.31 -47.22 86.93 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.101 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 905' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' B' ' 906' ' ' GLU . 51.5 pttt -69.74 -43.23 72.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.86 0.362 . . . . 0.0 110.643 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 906' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' B' ' 905' ' ' LYS . 95.2 mt-10 -64.84 -40.36 95.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.008 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -69.36 -38.11 77.94 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -63.71 -47.11 82.46 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.391 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.35 -36.76 82.07 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 26.4 mt -63.18 -43.2 98.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 38.7 t -64.36 -41.67 96.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.503 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.1 -39.96 96.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 74.7 m -59.88 -47.32 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.757 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.3 -38.07 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.115 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.59 93.39 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 25.4 t -60.1 -43.17 95.76 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.59 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -40.41 95.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -60.82 -43.17 98.56 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.652 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 919' ' ' LYS . . . . . 0.552 ' NZ ' ' NZ ' ' A' ' 919' ' ' LYS . 43.4 mmtm -60.16 -42.29 94.63 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.632 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.71 -38.77 79.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.973 0.416 . . . . 0.0 110.085 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -61.04 -41.19 96.11 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.203 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.38 -39.22 92.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.023 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.9 -41.49 87.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.184 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.58 -42.51 98.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.135 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.12 -46.38 84.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.591 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.12 -43.95 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.187 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -56.31 -47.59 78.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.97 -38.1 87.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.282 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.64 -42.16 99.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.004 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.37 -42.91 99.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.741 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 71.1 m -58.85 -43.15 90.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.38 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -65.22 -41.8 94.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.349 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -61.07 -41.69 97.1 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.28 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -59.98 -45.24 93.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.833 0.349 . . . . 0.0 110.297 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -60.25 -44.48 95.23 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.724 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.92 -38.89 92.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.461 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 937' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 83.0 mt-10 -56.08 -42.78 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.244 0.34 . . . . 0.0 110.244 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.57 -41.5 88.51 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.299 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.5 -52.97 55.12 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.285 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 19.3 m -66.44 -40.86 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.85 0.357 . . . . 0.0 110.407 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 941' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -57.16 -41.05 78.49 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.07 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -60.96 -45.87 93.01 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.333 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.66 -42.77 95.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 944' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' B' ' 949' ' ' GLU . 51.3 mtmt -63.42 -39.51 94.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -59.68 -39.48 84.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.45 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.21 -44.36 96.74 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.606 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 77.9 t -71.42 -42.44 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.561 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.53 43.41 0.03 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 944' ' ' LYS . 96.2 mt-10 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.579 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt . . . . . 0 N--CA 1.45 -0.475 0 CA-C-O 120.661 0.267 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.9 -47.67 76.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.898 0.38 . . . . 0.0 110.224 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.62 -43.99 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.987 0.423 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -66.58 -37.19 84.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.177 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -63.79 -48.64 76.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.061 0.458 . . . . 0.0 110.61 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.07 -41.14 90.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.937 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -42.22 78.09 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.76 -177.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -62.89 -39.54 94.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.774 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.49 -38.56 91.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.485 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.21 -40.32 93.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.079 0.466 . . . . 0.0 110.069 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.55 -44.78 70.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.293 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.6 -49.46 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.537 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 898' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 899' ' ' GLU . 11.0 tp -62.11 -40.97 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.033 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 899' ' ' GLU . . . . . 0.438 ' N ' ' CG2' ' A' ' 898' ' ' ILE . 82.2 tt0 -60.66 -39.9 90.1 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.144 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.77 -42.81 99.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.372 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.79 -40.94 98.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.358 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -59.95 -40.95 90.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.377 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.33 -37.02 86.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 86.9 mmm -62.02 -43.13 99.48 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.223 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -62.71 -47.54 83.16 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.644 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -66.8 -37.77 85.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -42.4 98.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.535 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -65.55 -43.5 89.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.425 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.98 -39.65 86.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.439 . . . . 0.0 110.255 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.76 -40.39 96.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.011 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 41.0 m -62.96 -38.19 90.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.052 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.01 -41.81 99.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.415 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 65.4 m -61.74 -44.55 96.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.09 -38.07 89.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.329 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.41 93.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 36.7 t -61.71 -42.79 99.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.215 0.531 . . . . 0.0 110.415 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.1 -39.72 91.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.206 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -61.75 -40.31 94.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -59.69 -44.65 93.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.519 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.3 -38.94 85.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.931 0.396 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -60.09 -40.85 91.0 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.344 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.09 -39.44 94.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.039 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -58.7 -41.82 87.15 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.251 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -62.83 -44.49 96.01 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . 0.497 ' HZ3' ' CD2' ' A' ' 929' ' ' LEU . 66.3 tttm -67.2 -48.74 66.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.992 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.53 -40.98 91.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.15 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.32 -48.56 80.14 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.005 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.44 -47.38 70.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.799 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.497 ' CD2' ' HZ3' ' A' ' 925' ' ' LYS . 9.1 mp -62.66 -37.82 87.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.16 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.95 -43.92 97.83 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.271 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 10.9 t -63.07 -44.62 95.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.708 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.17 -41.21 90.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.493 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 933' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 929' ' ' LEU . 7.9 m-20 -61.94 -41.75 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.024 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -61.39 -44.73 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.395 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 935' ' ' HIS . . . . . 0.521 ' CE1' ' OE2' ' A' ' 939' ' ' GLU . 10.4 t-160 -65.75 -44.28 86.37 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.456 -0.497 . . . . 0.0 110.849 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.11 -40.73 94.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.466 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 78.7 mt-10 -58.66 -43.05 89.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.59 -40.87 96.3 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.721 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 939' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 935' ' ' HIS . 98.3 mt-10 -68.83 -50.88 46.36 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.168 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.59 -45.96 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.487 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 941' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -57.62 -41.59 81.62 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.097 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -60.99 -43.07 99.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.241 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 48.2 tp -65.51 -43.58 89.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.7 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.08 -39.01 93.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.011 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.4 -35.92 68.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.68 -43.63 98.49 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.585 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 68.4 t -70.88 -42.5 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.369 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 157.33 21.7 0.03 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.5 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.943 0.401 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -55.83 -30.54 61.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.779 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -62.44 -45.05 94.81 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.858 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -65.17 -47.36 77.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.955 0.407 . . . . 0.0 110.199 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.05 -43.65 97.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.711 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -67.12 -37.87 84.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.2 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.08 -48.82 76.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.089 0.471 . . . . 0.0 110.485 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.92 -41.33 90.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.901 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -42.06 76.65 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.767 -177.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -63.05 -40.2 97.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.753 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.98 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.354 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.59 -40.02 93.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.04 0.448 . . . . 0.0 110.016 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -70.06 -44.12 69.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.962 0.411 . . . . 0.0 111.292 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.42 -49.58 53.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.432 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 898' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' B' ' 899' ' ' GLU . 11.0 tp -61.39 -41.36 89.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.998 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 899' ' ' GLU . . . . . 0.446 ' N ' ' CG2' ' B' ' 898' ' ' ILE . 82.4 tt0 -60.39 -40.07 89.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.266 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.89 -42.46 99.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.74 -40.85 98.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.221 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.1 -41.26 92.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.537 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 903' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' B' ' 907' ' ' ARG . 98.0 mtt180 -63.97 -36.72 84.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.551 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 86.8 mmm -62.29 -43.07 99.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.412 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -62.92 -47.13 84.57 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.597 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.95 -37.82 84.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.654 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 907' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 1.0 OUTLIER -61.08 -42.94 99.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.534 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -65.37 -42.87 92.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.411 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.2 -39.8 87.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.173 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 63.5 mt -63.7 -40.42 96.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.057 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 37.8 m -63.07 -37.93 89.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.44 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.19 -41.4 99.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.338 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 72.4 m -62.02 -44.86 95.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.61 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.91 -38.78 92.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.381 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.19 93.46 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.58 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 39.9 t -61.44 -43.09 99.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.215 0.531 . . . . 0.0 110.453 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 27.7 mt -61.23 -39.51 90.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.282 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -61.89 -39.53 92.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -60.19 -44.76 94.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.401 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.25 -38.4 83.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.921 0.391 . . . . 0.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.38 -40.67 91.69 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.449 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.45 -38.49 91.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.904 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -59.35 -42.43 91.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.171 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -62.58 -44.63 95.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 925' ' ' LYS . . . . . 0.503 ' HZ3' ' CD2' ' B' ' 929' ' ' LEU . 66.1 tttm -66.85 -49.1 66.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.048 0.452 . . . . 0.0 111.075 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.35 -41.1 91.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.192 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.97 -48.58 79.56 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.969 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.47 -47.54 69.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.86 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 929' ' ' LEU . . . . . 0.503 ' CD2' ' HZ3' ' B' ' 925' ' ' LYS . 9.2 mp -62.44 -37.9 87.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.142 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.02 -43.77 98.13 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.193 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 11.2 t -63.44 -44.57 94.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.09 -40.96 91.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.412 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 933' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' B' ' 929' ' ' LEU . 8.1 m-20 -62.22 -42.01 98.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.048 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.29 -44.43 97.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 935' ' ' HIS . . . . . 0.531 ' CE1' ' OE2' ' B' ' 939' ' ' GLU . 10.7 t-160 -65.92 -44.3 85.54 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.944 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 69.8 mt -65.21 -40.49 94.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.404 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 937' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 81.7 mt-10 -58.71 -43.29 90.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.36 -41.01 96.94 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.588 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 939' ' ' GLU . . . . . 0.531 ' OE2' ' CE1' ' B' ' 935' ' ' HIS . 98.8 mt-10 -68.17 -51.04 50.26 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.261 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.58 -46.47 86.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 941' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -57.29 -41.48 79.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.055 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -61.06 -42.6 98.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.04 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 47.3 tp -66.07 -43.55 87.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -64.04 -38.51 91.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.011 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -57.07 -35.67 69.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.469 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.04 -43.8 98.06 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.469 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.81 -42.55 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.533 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 157.5 22.07 0.03 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.568 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 55.9 mttm . . . . . 0 N--CA 1.442 -0.828 0 CA-C-O 120.529 0.204 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -66.13 -46.74 76.44 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.505 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 83.8 t -62.9 -46.41 96.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.24 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.74 -40.25 88.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.069 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.15 -42.18 89.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.795 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.3 mp -62.43 -42.16 94.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.4 -41.48 93.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.13 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.25 -38.56 91.63 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.091 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.07 -40.33 96.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.9 -41.14 95.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.79 -42.91 97.65 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.559 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.2 -47.97 63.36 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 29.7 mm -63.95 -43.78 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.77 -39.17 87.81 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.122 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.64 -43.63 98.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.468 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.396 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -57.89 -46.44 84.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.85 0.357 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.19 -37.69 84.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.99 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 84.2 mmm -61.77 -44.87 96.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.967 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -65.41 -45.25 84.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.796 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -66.7 -45.82 77.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.023 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.04 -38.21 85.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -63.89 -43.83 94.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.874 0.369 . . . . 0.0 110.496 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.91 -38.41 90.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.275 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 910' ' ' LEU . . . . . 0.487 ' O ' ' OE2' ' A' ' 914' ' ' GLU . 8.4 mp -63.8 -41.24 97.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.268 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 10.3 t -62.39 -40.43 96.46 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.635 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.86 -40.66 98.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.019 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -61.71 -45.78 92.48 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.025 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . 0.487 ' OE2' ' O ' ' A' ' 910' ' ' LEU . 1.1 mp0 -65.94 -45.01 83.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.55 -41.21 96.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.704 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 50.3 m -60.58 -39.23 87.28 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.203 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.78 -42.31 98.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.072 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -58.66 -42.72 89.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.622 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -61.07 -41.88 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.585 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.11 -38.63 83.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -60.77 -40.95 94.45 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.102 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.05 -38.32 90.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.51 -41.74 90.63 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.251 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.69 -41.8 99.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.217 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -62.39 -47.24 85.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.466 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 97.7 t -65.44 -44.54 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.096 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.73 -48.61 81.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.232 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.89 -42.72 94.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.975 0.417 . . . . 0.0 110.636 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . 0.463 ' O ' ' ND2' ' A' ' 933' ' ' ASN . 38.5 mt -63.54 -39.23 93.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.575 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.63 -42.15 98.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.215 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 14.9 p -61.55 -44.59 96.76 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.058 0.456 . . . . 0.0 110.968 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.35 -42.95 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 933' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 929' ' ' LEU . 62.8 m-80 -60.7 -39.96 90.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.838 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.91 -40.92 90.47 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.08 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 935' ' ' HIS . . . . . 0.521 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 80.1 t60 -59.94 -46.01 90.78 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.164 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.404 ' CD2' ' N ' ' A' ' 936' ' ' LEU . 4.1 mm? -69.3 -34.36 74.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.244 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 80.2 tt0 -61.1 -45.0 96.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.582 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -66.26 -42.09 88.99 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.272 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 939' ' ' GLU . . . . . 0.521 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 99.0 mt-10 -66.82 -51.11 59.46 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.239 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 68.0 t -66.51 -45.53 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.617 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 941' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -58.22 -37.25 74.47 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.38 -44.72 96.68 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.499 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 30.9 mt -66.15 -40.44 90.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.069 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -60.45 -37.94 82.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.724 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -53.29 -32.92 51.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.388 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 54.4 mt -60.78 -49.1 78.84 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.179 -0.609 . . . . 0.0 110.162 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 75.6 t -74.26 -42.38 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.035 0.445 . . . . 0.0 110.435 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . -176.67 -71.04 0.06 OUTLIER Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.601 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.953 0.406 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -55.37 -29.19 57.95 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.671 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -62.39 -45.23 94.06 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.621 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -66.5 -46.14 77.25 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.482 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.19 -46.37 96.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.215 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.95 -40.47 87.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.05 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.19 -41.97 89.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.853 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.3 mp -62.45 -42.25 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 66.7 mt -60.48 -41.6 94.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.229 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.23 -38.22 90.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.103 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.31 -39.98 95.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.17 -41.33 96.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.853 0.358 . . . . 0.0 110.064 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.7 -42.93 97.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.619 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.24 -47.81 63.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.179 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 29.7 mm -64.01 -43.71 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.9 -39.26 88.66 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.12 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.67 -43.57 98.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.4 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.26 -40.41 97.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.416 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -57.87 -46.44 84.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.944 0.402 . . . . 0.0 110.546 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.7 -38.18 86.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.069 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.59 -44.82 96.3 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.929 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -65.47 -45.28 84.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -66.72 -45.75 77.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.066 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -60.91 -38.21 84.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.511 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -64.22 -43.32 95.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.344 . . . . 0.0 110.535 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.02 -38.53 91.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.281 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 910' ' ' LEU . . . . . 0.486 ' O ' ' OE2' ' B' ' 914' ' ' GLU . 8.5 mp -63.9 -41.17 97.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.229 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 9.3 t -62.24 -40.54 96.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.636 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.8 -40.84 98.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.104 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 77.4 m -61.68 -45.83 92.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.029 0.442 . . . . 0.0 110.172 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 914' ' ' GLU . . . . . 0.486 ' OE2' ' O ' ' B' ' 910' ' ' LEU . 1.1 mp0 -65.84 -45.08 83.56 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.27 96.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.683 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 49.1 m -60.63 -39.39 88.09 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.288 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.61 -42.22 98.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.103 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -58.87 -42.33 89.17 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.575 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -61.35 -42.08 98.11 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.5 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.05 -38.71 83.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.77 -41.01 94.67 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.094 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.11 -38.41 91.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.805 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.14 -41.74 89.03 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.269 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -62.65 -41.69 99.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.186 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -62.58 -47.21 84.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.476 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.53 -44.59 93.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.079 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -60.68 -48.71 80.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.9 -42.8 94.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.974 0.416 . . . . 0.0 110.704 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 929' ' ' LEU . . . . . 0.49 ' O ' ' ND2' ' B' ' 933' ' ' ASN . 38.7 mt -63.45 -39.27 94.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.6 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.61 -42.11 98.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.197 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 13.8 p -61.56 -44.52 96.88 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.053 0.454 . . . . 0.0 111.005 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.42 -42.99 91.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.527 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 933' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 929' ' ' LEU . 63.1 m-80 -60.62 -39.78 89.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.814 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.91 -41.0 90.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.127 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 935' ' ' HIS . . . . . 0.515 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 82.0 t60 -60.04 -45.82 91.57 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.149 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 936' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' B' ' 936' ' ' LEU . 4.2 mm? -69.18 -34.33 74.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.235 178.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 937' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 80.5 tt0 -61.22 -45.11 95.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.15 -42.13 89.48 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.201 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 939' ' ' GLU . . . . . 0.515 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.9 mt-10 -66.91 -51.25 57.63 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.379 -0.529 . . . . 0.0 111.177 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 76.5 t -66.31 -45.35 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.659 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 941' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -58.48 -37.05 74.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -61.32 -44.76 96.67 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 33.4 mt -66.42 -40.24 89.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.064 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -60.31 -38.03 82.42 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.657 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -53.46 -33.1 52.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.68 -49.2 78.45 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.265 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 75.1 t -74.12 -42.38 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.105 0.479 . . . . 0.0 110.493 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . -176.68 -71.06 0.06 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.572 -179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 88.3 mttt . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 120.572 0.225 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.49 -45.94 81.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.397 . . . . 0.0 110.233 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.91 -43.83 96.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -66.41 -38.28 87.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.087 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -63.19 -47.22 83.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.968 0.413 . . . . 0.0 110.586 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.18 -41.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.266 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 40.4 mt -57.96 -41.4 82.79 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.151 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -63.26 -38.35 90.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.944 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.64 -37.93 89.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.56 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . 0.592 ' CG ' ' HZ3' ' B' ' 944' ' ' LYS . 97.5 mt-10 -61.93 -40.14 94.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -63.46 -43.98 95.81 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.311 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -68.12 -42.18 80.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 5.0 mm -64.24 -44.0 97.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.745 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -60.07 -39.6 86.61 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.991 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -62.14 -43.52 98.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.84 -41.48 99.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.539 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 902' ' ' GLN . . . . . 0.546 ' NE2' ' OE2' ' B' ' 937' ' ' GLU . 95.2 mm-40 -60.23 -47.21 86.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 903' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 907' ' ' ARG . 90.9 mtm180 -66.62 -39.39 88.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.508 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 84.7 mmm -63.83 -44.24 93.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.67 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 905' ' ' LYS . . . . . 0.498 ' HZ1' ' CD1' ' B' ' 930' ' ' LEU . 28.0 tttt -65.0 -47.71 76.54 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.795 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -67.27 -38.94 85.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.056 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 907' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 903' ' ' ARG . 13.6 mmm180 -60.71 -43.52 97.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.86 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -64.96 -43.89 91.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.898 0.38 . . . . 0.0 110.604 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.39 -39.35 86.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.234 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.52 -38.71 92.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.316 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 67.6 m -61.54 -41.34 97.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.506 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.96 -41.63 99.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 70.6 m -60.32 -46.4 90.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.0 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.85 -38.01 89.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.303 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.21 94.81 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 916' ' ' SER . . . . . 0.511 ' CA ' ' HZ2' ' B' ' 919' ' ' LYS . 42.1 t -63.1 -45.44 92.06 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.687 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -41.94 98.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.724 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -59.35 -41.69 89.78 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.173 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 919' ' ' LYS . . . . . 0.521 ' HZ2' ' CA ' ' B' ' 916' ' ' SER . 55.1 mtpt -60.1 -41.28 92.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.526 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.29 -38.56 83.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.29 -41.77 94.07 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.107 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 922' ' ' LEU . . . . . 0.403 ' CD1' ' OE1' ' B' ' 908' ' ' GLN . 4.1 mm? -62.27 -38.91 91.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.147 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.07 -39.52 82.35 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.514 -0.475 . . . . 0.0 110.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.09 -44.54 95.43 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.243 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.85 -46.4 78.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.903 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.11 -41.87 92.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.355 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -57.8 -48.95 78.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.969 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -68.58 -44.53 74.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.76 -40.48 97.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 930' ' ' LEU . . . . . 0.467 ' CD1' ' HZ1' ' B' ' 905' ' ' LYS . 5.8 tt -62.43 -43.9 97.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.165 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 67.3 m -63.62 -44.38 94.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.963 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.71 -43.72 88.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.394 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -59.91 -41.15 91.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.905 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 934' ' ' TYR . . . . . 0.484 ' CE2' ' ND2' ' A' ' 938' ' ' ASN . 90.7 t80 -60.36 -42.24 95.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.274 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 935' ' ' HIS . . . . . 0.513 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 86.8 t60 -65.47 -45.54 83.31 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.162 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 10.4 mp -65.22 -37.77 88.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.282 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . 0.541 ' OE2' ' NE2' ' B' ' 902' ' ' GLN . 75.3 mt-10 -63.06 -44.49 95.67 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.769 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 938' ' ' ASN . . . . . 0.484 ' ND2' ' CE2' ' A' ' 934' ' ' TYR . 92.7 m-20 -62.91 -43.39 98.92 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.222 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 939' ' ' GLU . . . . . 0.513 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 98.8 mt-10 -72.01 -50.9 24.78 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.271 -0.572 . . . . 0.0 111.572 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.57 -46.3 93.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 941' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.33 -36.42 75.63 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.22 -46.64 89.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.49 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.05 -34.28 73.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . 0.598 ' HZ3' ' CG ' ' B' ' 895' ' ' GLU . 3.4 tppt? -57.47 -36.84 71.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.244 -178.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.9 -35.73 75.48 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.904 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.12 -50.78 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.466 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 86.4 t -80.32 -42.78 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.03 0.443 . . . . 0.0 110.8 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 165.54 106.97 0.2 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.612 -179.9 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.915 0.388 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -55.06 -29.5 57.62 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.976 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -62.77 -45.32 93.23 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.625 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -65.53 -46.0 81.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 110.352 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.94 -43.69 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -66.33 -38.61 88.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -63.05 -47.36 83.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.957 0.408 . . . . 0.0 110.545 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.13 -41.98 93.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.227 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 39.6 mt -58.01 -41.44 83.12 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.012 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -63.27 -38.26 90.46 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.977 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.51 -38.26 90.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.532 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 895' ' ' GLU . . . . . 0.598 ' CG ' ' HZ3' ' A' ' 944' ' ' LYS . 96.3 mt-10 -61.8 -40.24 94.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -63.32 -43.84 96.64 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.231 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.28 -42.11 80.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.25 -44.03 97.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.03 -39.93 87.59 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.274 -0.571 . . . . 0.0 110.009 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.83 -43.45 98.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.594 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.04 -41.47 99.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.627 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 902' ' ' GLN . . . . . 0.541 ' NE2' ' OE2' ' A' ' 937' ' ' GLU . 94.8 mm-40 -60.16 -46.74 88.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 903' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' B' ' 907' ' ' ARG . 90.7 mtm180 -66.9 -39.55 87.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.49 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 84.0 mmm -63.62 -44.41 94.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.708 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 905' ' ' LYS . . . . . 0.467 ' HZ1' ' CD1' ' A' ' 930' ' ' LEU . 28.5 tttt -65.04 -47.81 76.07 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.883 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -67.15 -38.81 86.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 907' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 13.5 mmm180 -60.7 -43.88 97.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.874 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 908' ' ' GLN . . . . . 0.403 ' OE1' ' CD1' ' A' ' 922' ' ' LEU . 98.2 mm-40 -64.67 -43.57 93.15 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.606 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.56 -39.18 87.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.192 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.67 -38.77 92.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.151 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 73.6 m -61.47 -41.45 97.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.425 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.91 -41.62 99.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 74.2 m -60.43 -46.46 89.96 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.97 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.72 -37.89 89.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.249 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.12 95.09 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 916' ' ' SER . . . . . 0.521 ' CA ' ' HZ2' ' A' ' 919' ' ' LYS . 38.5 t -63.35 -45.16 92.47 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.66 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -42.07 98.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.707 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -59.39 -41.48 89.48 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.128 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 919' ' ' LYS . . . . . 0.511 ' HZ2' ' CA ' ' A' ' 916' ' ' SER . 55.4 mtpt -60.15 -41.57 93.04 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.634 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.08 -38.5 83.09 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.32 -41.81 94.29 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.161 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.22 -38.89 90.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.183 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.02 -39.66 82.59 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.041 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.97 -44.4 96.15 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.288 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.86 -46.31 78.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.32 -42.01 92.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.372 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -57.67 -48.87 78.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.988 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -68.73 -44.35 74.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.96 -40.4 97.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.354 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 930' ' ' LEU . . . . . 0.498 ' CD1' ' HZ1' ' A' ' 905' ' ' LYS . 5.9 tt -62.49 -43.76 98.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.192 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 68.1 m -63.64 -44.45 93.83 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.868 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.02 -43.71 86.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.421 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -60.08 -40.82 90.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 934' ' ' TYR . . . . . 0.496 ' CE2' ' ND2' ' B' ' 938' ' ' ASN . 90.8 t80 -60.67 -42.59 97.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.319 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 935' ' ' HIS . . . . . 0.522 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 86.6 t60 -65.34 -45.46 84.12 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.037 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.16 -37.44 87.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.291 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 937' ' ' GLU . . . . . 0.546 ' OE2' ' NE2' ' A' ' 902' ' ' GLN . 73.7 mt-10 -63.29 -44.46 94.97 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 938' ' ' ASN . . . . . 0.496 ' ND2' ' CE2' ' B' ' 934' ' ' TYR . 93.3 m-20 -63.01 -43.45 98.74 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.336 -0.546 . . . . 0.0 111.174 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 939' ' ' GLU . . . . . 0.522 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.9 mt-10 -71.85 -50.8 26.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.534 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.64 -46.22 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.858 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 941' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.57 -36.04 75.43 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -60.19 -46.75 88.66 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.528 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.98 -35.05 74.14 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.845 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 944' ' ' LYS . . . . . 0.592 ' HZ3' ' CG ' ' A' ' 895' ' ' GLU . 3.4 tppt? -56.53 -36.77 69.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.239 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.1 -36.06 76.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.923 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 62.3 mt -58.14 -50.52 73.22 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.334 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.31 -42.82 21.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.055 0.455 . . . . 0.0 110.827 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 165.17 107.13 0.2 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.656 -179.916 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 45.7 mttp . . . . . 0 N--CA 1.444 -0.765 0 CA-C-O 120.524 0.202 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -64.3 -49.54 71.39 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 86.3 t -61.29 -47.36 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.241 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.92 -31.86 73.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.939 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -64.12 -45.3 89.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.33 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.73 -42.75 95.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.939 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.37 -39.6 80.04 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.272 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.75 -39.06 92.96 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.461 -0.495 . . . . 0.0 109.919 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.95 -37.8 88.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.482 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . 0.441 ' CG ' ' HZ2' ' B' ' 944' ' ' LYS . 97.5 mt-10 -63.16 -44.96 94.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.915 0.388 . . . . 0.0 110.366 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -68.16 -43.92 77.14 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -70.22 -51.04 33.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.382 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 898' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 899' ' ' GLU . 9.6 tp -59.9 -40.69 83.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.974 0.416 . . . . 0.0 110.044 -179.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 899' ' ' GLU . . . . . 0.524 ' CG ' ' NH1' ' A' ' 903' ' ' ARG . 81.0 tt0 -62.99 -38.76 92.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.252 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.56 -44.07 97.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.87 -40.48 96.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -58.49 -48.09 81.94 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.647 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 903' ' ' ARG . . . . . 0.524 ' NH1' ' CG ' ' A' ' 899' ' ' GLU . 59.3 mtt85 -64.99 -41.04 95.76 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.08 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 92.0 mtp -64.74 -46.63 81.39 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.19 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 905' ' ' LYS . . . . . 0.519 ' HZ1' HD21 ' B' ' 933' ' ' ASN . 99.5 mttt -67.13 -44.55 79.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.051 0.453 . . . . 0.0 110.575 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.49 -43.23 85.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 907' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 903' ' ' ARG . 20.5 mmt85 -63.07 -40.59 98.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -61.39 -45.96 92.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.334 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.15 -39.15 85.34 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.571 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.67 -40.02 95.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.514 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 71.0 m -61.76 -41.58 97.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.68 -38.84 92.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 74.2 m -59.93 -45.11 93.67 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.076 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.72 -44.25 86.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.698 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.74 96.6 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 63.6 m -60.34 -40.34 90.33 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.373 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 34.6 mt -61.6 -42.35 98.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.37 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -58.8 -42.29 88.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.195 0.521 . . . . 0.0 110.582 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -60.99 -42.66 98.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.621 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 7.7 mp -59.81 -38.02 80.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.976 0.417 . . . . 0.0 110.16 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.92 -42.87 98.97 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.493 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.28 -37.27 86.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.975 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.6 -38.63 85.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.093 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -66.35 -40.3 89.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.327 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -65.14 -52.07 57.41 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.482 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.6 -38.09 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.08 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -56.76 -44.76 82.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.249 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 928' ' ' GLU . . . . . 0.424 ' O ' ' OG ' ' A' ' 931' ' ' SER . 93.5 mt-10 -63.72 -38.47 91.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.97 0.415 . . . . 0.0 110.297 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.01 -41.15 99.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.097 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 41.7 tp -61.99 -42.51 99.23 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.135 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 931' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 928' ' ' GLU . 72.6 p -58.8 -42.8 89.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.48 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 932' ' ' LYS . . . . . 0.42 ' N ' ' HG ' ' A' ' 931' ' ' SER . 98.6 mttt -62.51 -38.72 91.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.984 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 933' ' ' ASN . . . . . 0.512 HD21 ' HZ1' ' B' ' 905' ' ' LYS . 7.3 t-20 -59.57 -41.32 89.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.974 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.05 -46.13 91.96 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.181 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 935' ' ' HIS . . . . . 0.523 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 86.3 t60 -65.58 -43.91 88.28 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.66 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.19 -39.37 93.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.374 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 41.3 mm-40 -59.82 -41.5 91.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.169 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.19 -41.79 96.95 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.672 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 939' ' ' GLU . . . . . 0.523 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 98.4 mt-10 -68.63 -50.54 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.72 -44.54 93.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.443 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 941' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.55 -37.95 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.885 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.26 -46.48 90.19 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.264 -0.575 . . . . 0.0 109.648 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 89.2 mt -70.0 -33.59 72.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.715 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . 0.429 ' HZ2' ' CG ' ' B' ' 895' ' ' GLU . 2.8 tppt? -58.19 -37.25 74.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.41 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.88 -34.62 74.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.76 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.65 -45.39 92.15 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.468 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 98.4 t -88.64 -42.04 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 0.0 110.62 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 167.97 107.14 0.2 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.577 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.928 0.394 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -54.23 -29.93 48.28 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.77 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -63.08 -45.25 93.01 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.689 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -64.44 -49.46 71.37 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.037 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 85.5 t -61.29 -47.23 94.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.121 0.486 . . . . 0.0 110.187 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.96 -31.6 72.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.93 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -64.32 -45.65 86.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.341 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.46 -42.74 95.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.855 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.36 -39.65 80.13 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.284 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.58 -38.73 91.27 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.101 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.51 -38.18 90.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.52 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 895' ' ' GLU . . . . . 0.429 ' CG ' ' HZ2' ' A' ' 944' ' ' LYS . 96.3 mt-10 -62.71 -45.02 94.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.903 0.383 . . . . 0.0 110.336 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -67.95 -44.02 77.71 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.35 -51.24 31.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.37 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 898' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' B' ' 899' ' ' GLU . 9.6 tp -59.55 -40.54 82.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.046 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 899' ' ' GLU . . . . . 0.523 ' CG ' ' NH1' ' B' ' 903' ' ' ARG . 81.4 tt0 -63.3 -38.33 90.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.191 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.87 -43.98 97.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.87 -40.71 97.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.616 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -58.42 -48.11 81.74 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.684 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 903' ' ' ARG . . . . . 0.523 ' NH1' ' CG ' ' B' ' 899' ' ' GLU . 58.3 mtt85 -64.97 -40.9 95.68 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.119 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 91.4 mtp -64.82 -46.6 81.29 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.167 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 905' ' ' LYS . . . . . 0.512 ' HZ1' HD21 ' A' ' 933' ' ' ASN . 99.5 mttt -67.08 -44.55 79.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 110.725 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.39 -43.18 86.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 907' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 21.0 mmt85 -62.97 -40.48 97.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -61.62 -46.09 91.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.428 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.95 -38.79 83.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.988 0.423 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.8 -40.3 96.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.556 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 74.1 m -61.72 -41.54 97.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.337 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.92 -39.03 93.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.295 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 71.8 m -59.7 -45.01 93.42 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.994 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.82 -44.63 85.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.55 97.45 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.932 0.396 . . . . 0.0 110.694 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 70.3 m -60.56 -40.63 92.33 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.458 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 34.1 mt -61.5 -42.15 98.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -59.03 -42.37 90.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.138 0.494 . . . . 0.0 110.489 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -60.71 -42.83 98.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.638 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 7.8 mp -59.81 -37.95 80.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.141 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.85 -43.08 98.81 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.493 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.03 -36.77 84.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.101 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.08 -38.9 87.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.216 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -66.23 -39.82 89.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.399 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.45 -51.98 56.37 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.502 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.95 -37.81 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.089 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -56.99 -44.32 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 928' ' ' GLU . . . . . 0.429 ' O ' ' OG ' ' B' ' 931' ' ' SER . 93.3 mt-10 -64.05 -38.68 91.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.338 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.93 -41.18 99.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.198 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 42.8 tp -61.9 -42.56 99.22 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.043 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 931' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 928' ' ' GLU . 63.1 p -58.88 -42.61 89.93 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.13 0.491 . . . . 0.0 110.385 -179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.66 -38.82 91.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.046 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 933' ' ' ASN . . . . . 0.519 HD21 ' HZ1' ' A' ' 905' ' ' LYS . 7.6 t-20 -59.57 -41.15 89.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.011 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.05 -46.12 91.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.105 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 935' ' ' HIS . . . . . 0.513 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 86.3 t60 -65.47 -44.04 88.4 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.78 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.21 -39.5 94.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.281 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 937' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 41.1 mm-40 -59.43 -41.68 90.16 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.284 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -63.92 -41.93 97.53 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.723 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 939' ' ' GLU . . . . . 0.513 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.5 mt-10 -68.48 -50.44 52.34 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.984 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.07 -44.6 91.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.445 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 941' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.13 -38.3 79.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.774 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.25 -46.42 90.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.733 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.01 -33.22 71.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.821 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 944' ' ' LYS . . . . . 0.441 ' HZ2' ' CG ' ' A' ' 895' ' ' GLU . 2.7 tppt? -58.56 -37.29 75.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.297 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -60.93 -34.1 74.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.776 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.22 -44.08 95.46 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.392 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 98.3 t -90.22 -41.85 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.543 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 168.06 107.12 0.2 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.523 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 90.4 mttt . . . . . 0 N--CA 1.445 -0.716 0 CA-C-O 120.554 0.216 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.47 -46.17 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.05 0.452 . . . . 0.0 110.321 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.99 -44.42 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.277 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -67.23 -41.62 85.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.595 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -65.07 -49.61 69.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.033 0.444 . . . . 0.0 110.819 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.44 -41.76 93.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.053 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 57.4 tp -55.81 -42.76 76.12 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.13 -39.86 94.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.5 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.0 -39.79 95.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.938 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.99 -41.54 90.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.175 0.512 . . . . 0.0 110.223 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.22 -45.1 67.25 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.829 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.59 -48.86 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.713 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 898' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 899' ' ' GLU . 10.2 tp -61.49 -42.18 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.118 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 899' ' ' GLU . . . . . 0.452 ' N ' ' CG2' ' A' ' 898' ' ' ILE . 87.4 mt-10 -61.87 -38.6 88.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.846 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.37 -43.89 98.09 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.374 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.02 -41.33 86.82 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.902 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.45 -39.39 93.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.347 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 903' ' ' ARG . . . . . 0.666 ' NH2' HH21 ' A' ' 907' ' ' ARG . 16.8 mmm180 -62.95 -45.48 92.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 91.3 mtp -65.68 -41.82 92.0 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.681 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -61.15 -45.96 92.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.508 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.45 -40.09 92.8 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.897 0.379 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 907' ' ' ARG . . . . . 0.666 HH21 ' NH2' ' A' ' 903' ' ' ARG . 95.1 mtt-85 -69.34 -39.28 78.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.335 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -63.23 -48.61 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.089 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -68.39 -36.51 79.26 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.098 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.79 -43.02 99.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.334 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 70.3 m -62.33 -42.59 99.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.274 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.62 -37.67 88.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.354 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -60.52 -47.18 87.27 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.074 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.19 -45.65 80.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 915' ' ' ALA . . . . . 0.413 ' CB ' ' HZ2' ' B' ' 919' ' ' LYS . . . -64.95 -39.09 92.97 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.813 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 40.9 t -60.78 -41.41 95.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.297 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 33.9 mt -61.06 -41.27 96.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.106 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -60.16 -39.42 86.35 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.433 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 919' ' ' LYS . . . . . 0.43 ' HZ2' ' CB ' ' B' ' 915' ' ' ALA . 69.1 mmtt -62.37 -42.45 99.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.727 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.62 -39.51 84.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.72 -41.37 95.13 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.078 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.31 -39.54 93.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.999 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -58.69 -39.52 80.94 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.126 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.33 -43.02 99.79 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.043 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.85 -48.62 76.02 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.752 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.35 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -57.44 -48.93 77.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.061 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.55 -46.86 77.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.305 . . . . 0.0 111.32 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.78 -39.35 94.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.03 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.53 -43.39 98.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.736 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 8.4 p -62.16 -43.98 97.62 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.659 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -65.85 -41.32 91.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.533 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -60.78 -41.77 96.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.055 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -62.24 -45.55 92.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.837 0.351 . . . . 0.0 110.259 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -65.13 -44.79 87.53 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.868 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.68 -39.81 94.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.167 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 70.6 mt-10 -56.83 -42.48 79.73 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.96 -40.51 91.34 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.01 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.35 -52.52 53.23 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.297 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 22.0 m -67.53 -41.17 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.113 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 941' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -60.17 -42.06 94.19 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.145 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.78 -47.97 82.77 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.877 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 99.5 mt -69.48 -39.27 77.78 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.063 0.458 . . . . 0.0 111.734 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 949' ' ' GLU . 45.5 mtpt -60.71 -38.91 86.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.435 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -60.38 -38.04 82.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.16 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.21 -44.43 96.6 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.43 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 61.2 t -71.11 -42.42 76.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.584 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.64 45.55 0.03 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 944' ' ' LYS . 97.5 mt-10 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.972 0.415 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -54.87 -28.93 53.88 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.659 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -61.9 -45.38 94.0 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.515 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -67.19 -46.75 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.14 0.495 . . . . 0.0 110.411 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.43 -44.71 99.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.287 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.1 -41.45 86.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.669 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.12 -49.49 69.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 110.799 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.41 -41.77 93.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.004 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 57.7 tp -55.97 -42.82 76.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.35 -39.64 94.29 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.407 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.88 -39.86 95.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.86 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.12 -41.74 90.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.127 0.489 . . . . 0.0 110.169 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.83 -44.84 69.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.022 0.439 . . . . 0.0 110.893 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -69.1 -49.0 61.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.627 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 898' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' B' ' 899' ' ' GLU . 10.0 tp -61.35 -41.99 91.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.107 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 899' ' ' GLU . . . . . 0.449 ' N ' ' CG2' ' B' ' 898' ' ' ILE . 88.7 mt-10 -61.92 -38.85 89.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.46 -43.71 98.39 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.331 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.84 -41.41 87.44 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.937 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.4 -39.53 93.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.345 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 903' ' ' ARG . . . . . 0.659 ' NH2' HH21 ' B' ' 907' ' ' ARG . 17.1 mmm180 -62.74 -45.44 92.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 92.1 mtp -65.75 -41.82 91.67 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.694 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.09 -45.87 92.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.549 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.56 -40.07 92.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.959 0.409 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 907' ' ' ARG . . . . . 0.659 HH21 ' NH2' ' B' ' 903' ' ' ARG . 95.2 mtt-85 -69.28 -39.22 78.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.286 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -63.39 -48.55 77.42 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.153 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -68.36 -36.52 79.33 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.119 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.0 -42.86 99.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.233 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 69.1 m -62.39 -42.6 99.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.226 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.69 -37.69 88.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.366 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 73.0 m -60.39 -47.22 87.01 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.062 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.2 -45.73 79.76 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.08 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 915' ' ' ALA . . . . . 0.43 ' CB ' ' HZ2' ' A' ' 919' ' ' LYS . . . -64.9 -39.12 93.03 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.778 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 44.5 t -60.65 -41.35 94.79 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.287 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 33.2 mt -61.05 -41.29 96.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.107 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -60.24 -39.33 86.32 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.458 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 919' ' ' LYS . . . . . 0.413 ' HZ2' ' CB ' ' A' ' 915' ' ' ALA . 69.2 mmtt -62.47 -42.42 99.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.697 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.54 -39.69 84.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.67 -41.32 94.82 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.155 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.31 -39.61 93.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.081 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -58.47 -39.48 80.07 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.125 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.39 -43.43 98.84 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.985 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.52 -48.36 77.87 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.737 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 88.5 t -64.47 -40.83 90.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.076 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -57.15 -49.0 77.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.044 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.48 -46.99 77.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.759 0.314 . . . . 0.0 111.344 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.76 -39.21 93.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.926 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.6 -43.43 98.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.779 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 6.5 p -62.33 -43.74 98.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.612 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -65.98 -41.54 91.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.657 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -60.73 -41.8 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.086 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -62.13 -45.75 92.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.904 0.383 . . . . 0.0 110.443 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -64.98 -44.69 88.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.892 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.81 -39.75 94.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.137 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 937' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 70.1 mt-10 -56.62 -42.53 78.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.184 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -66.09 -40.6 90.91 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.024 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.12 -52.3 56.13 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.298 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 21.2 m -67.63 -41.16 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.11 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 941' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -60.2 -42.18 94.56 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.271 -0.571 . . . . 0.0 110.165 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -61.77 -47.91 83.05 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.809 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.54 -39.18 77.62 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 111.694 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 944' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' B' ' 949' ' ' GLU . 45.5 mtpt -60.75 -38.88 86.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.45 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -60.32 -37.94 82.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.224 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.39 -44.3 96.78 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.457 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 71.0 t -71.15 -42.56 75.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.575 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.02 45.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 944' ' ' LYS . 97.0 mt-10 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.615 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 886' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 887' ' ' GLN . 24.1 pttm . . . . . 0 N--CA 1.445 -0.703 0 CA-C-O 120.739 0.304 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 886' ' ' LYS . 54.4 tt0 -68.01 -39.48 83.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.455 0.645 . . . . 0.0 110.391 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.82 -40.37 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.678 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -66.69 -45.54 78.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.763 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -67.15 -40.33 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.275 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 2.1 tp -65.04 -38.21 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.589 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.67 -41.02 96.98 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.159 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -62.45 -37.88 87.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.503 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.49 -38.66 92.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.196 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . 0.59 ' CG ' ' HZ1' ' B' ' 944' ' ' LYS . 98.2 mt-10 -60.92 -41.22 95.75 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.34 -44.07 95.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -69.9 -45.69 67.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 5.2 mm -63.39 -44.39 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.4 -40.84 92.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.211 -0.595 . . . . 0.0 110.146 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.46 -42.48 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.6 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.22 -39.63 95.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.379 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -59.0 -42.37 89.93 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.633 -0.427 . . . . 0.0 109.927 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -64.58 -41.82 96.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.094 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 97.1 mmm -63.3 -47.05 83.92 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.033 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -66.75 -46.54 75.06 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.675 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.69 -43.67 92.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.705 0.288 . . . . 0.0 111.076 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -64.24 -40.67 96.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.878 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.31 -43.48 94.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.851 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.78 -39.38 93.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 110.081 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.16 -40.47 96.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.474 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 39.1 t -63.06 -42.47 99.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.664 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.4 mt -63.31 -39.54 94.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -61.69 -46.42 89.77 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.79 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.29 -44.29 83.93 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.66 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.29 93.79 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.749 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 73.0 m -60.69 -39.54 88.86 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 29.3 mt -61.88 -42.44 99.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.46 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -61.82 -45.15 95.06 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.964 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -61.21 -40.36 93.69 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.075 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.35 -39.2 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.8 -41.55 95.86 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.874 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.1 -38.89 90.58 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.309 -0.557 . . . . 0.0 109.749 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -59.97 -39.12 84.57 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.264 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.53 -43.74 98.07 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.092 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.94 -46.03 86.54 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.072 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 83.8 t -66.65 -43.42 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.331 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -57.63 -48.18 80.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.02 -41.05 87.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.516 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.98 -41.53 99.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.763 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 5.1 tt -61.9 -43.83 98.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.363 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 931' ' ' SER . . . . . 0.527 ' O ' ' ND1' ' A' ' 935' ' ' HIS . 42.4 t -63.38 -44.58 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.788 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.88 -43.4 83.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.255 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 933' ' ' ASN . . . . . 0.524 ' ND2' ' OE2' ' A' ' 937' ' ' GLU . 47.4 t30 -63.19 -41.15 99.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.654 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 934' ' ' TYR . . . . . 0.497 ' CZ ' ' OD1' ' A' ' 938' ' ' ASN . 67.9 t80 -60.68 -43.43 97.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.441 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 935' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' A' ' 931' ' ' SER . 62.7 m80 -65.6 -44.35 86.83 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.587 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.13 -40.59 94.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 937' ' ' GLU . . . . . 0.524 ' OE2' ' ND2' ' A' ' 933' ' ' ASN . 92.0 mt-10 -63.04 -43.27 99.14 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 938' ' ' ASN . . . . . 0.497 ' OD1' ' CZ ' ' A' ' 934' ' ' TYR . 11.7 m120 -63.72 -42.13 97.96 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.367 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.49 -51.23 37.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.319 0.58 . . . . 0.0 111.21 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 64.7 t -66.86 -43.66 89.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.697 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 941' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.37 -36.84 76.52 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.79 -46.39 90.66 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 99.1 mt -69.26 -34.32 74.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.086 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . 0.588 ' HZ1' ' CG ' ' B' ' 895' ' ' GLU . 3.9 tppt? -57.15 -38.37 73.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.118 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.79 -33.3 71.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.098 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.57 -49.12 78.81 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.474 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.29 -42.74 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 166.36 108.3 0.21 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.764 -179.767 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 120.933 0.397 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -53.12 -28.54 26.24 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 886' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' B' ' 887' ' ' GLN . 24.1 pttm -61.5 -45.14 95.48 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.716 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 887' ' ' GLN . . . . . 0.446 ' N ' ' CG ' ' B' ' 886' ' ' LYS . 54.8 tt0 -68.16 -39.59 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.425 0.631 . . . . 0.0 110.4 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 56.2 t -70.74 -40.4 76.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.732 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -66.51 -45.53 79.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.727 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.22 -40.31 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.277 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 2.1 tp -64.95 -38.32 82.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.62 -41.09 96.98 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.197 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -62.53 -37.68 87.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.538 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.56 -38.61 91.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.294 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 895' ' ' GLU . . . . . 0.588 ' CG ' ' HZ1' ' A' ' 944' ' ' LYS . 98.1 mt-10 -60.91 -41.22 95.71 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.861 0.362 . . . . 0.0 110.147 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.39 -43.97 96.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.598 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -69.95 -45.73 66.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 5.3 mm -63.43 -44.3 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.47 -40.78 92.49 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.129 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.49 -42.48 98.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.519 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.23 -39.58 95.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.393 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -59.03 -42.58 90.53 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.703 -0.399 . . . . 0.0 109.941 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -64.61 -41.52 96.15 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.201 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.45 -46.99 83.71 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.003 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -66.76 -46.53 75.08 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.645 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -64.62 -43.81 92.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.734 0.302 . . . . 0.0 111.073 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -64.17 -40.71 96.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -64.36 -43.45 94.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.76 -39.6 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.436 . . . . 0.0 110.036 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 63.5 mt -63.97 -40.57 96.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.466 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 38.4 t -62.87 -42.6 99.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 0.0 110.755 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.27 -39.64 95.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.597 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 72.2 m -61.54 -46.41 90.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.28 -44.39 83.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.594 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.3 94.07 Favored 'General case' 0 CA--C 1.512 -0.502 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.767 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 74.1 m -60.63 -39.71 89.29 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.055 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.94 -42.25 98.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.515 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -61.96 -45.07 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.006 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -61.16 -40.47 93.97 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.994 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.36 -39.19 78.88 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -60.75 -41.61 95.78 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.986 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.92 -39.05 90.69 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.783 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -59.88 -39.05 83.99 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.216 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.57 -43.82 97.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.041 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.9 -46.1 86.35 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.065 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 83.6 t -66.64 -43.46 90.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.38 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -57.56 -48.23 79.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.04 -41.03 87.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.749 0.309 . . . . 0.0 110.472 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.0 -41.38 99.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.796 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.06 -43.81 98.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 931' ' ' SER . . . . . 0.529 ' O ' ' ND1' ' B' ' 935' ' ' HIS . 42.2 t -63.24 -44.64 94.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.82 -43.38 83.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 933' ' ' ASN . . . . . 0.512 ' ND2' ' OE2' ' B' ' 937' ' ' GLU . 47.6 t30 -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.683 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 934' ' ' TYR . . . . . 0.51 ' CZ ' ' OD1' ' B' ' 938' ' ' ASN . 68.5 t80 -60.5 -43.56 96.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 935' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' B' ' 931' ' ' SER . 62.8 m80 -65.6 -44.29 87.05 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.602 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.16 -40.49 94.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.52 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 937' ' ' GLU . . . . . 0.512 ' OE2' ' ND2' ' B' ' 933' ' ' ASN . 92.4 mt-10 -63.1 -43.33 98.78 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 938' ' ' ASN . . . . . 0.51 ' OD1' ' CZ ' ' B' ' 934' ' ' TYR . 11.6 m120 -63.7 -42.04 98.03 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.315 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.38 -51.34 37.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.523 0.678 . . . . 0.0 111.35 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 64.3 t -66.91 -43.59 89.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.68 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 941' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.44 -36.91 76.81 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.72 -46.4 90.55 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 99.1 mt -69.31 -34.43 74.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.017 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 944' ' ' LYS . . . . . 0.59 ' HZ1' ' CG ' ' A' ' 895' ' ' GLU . 3.8 tppt? -57.07 -38.27 73.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.19 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.8 -33.26 71.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.65 -49.05 79.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.434 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.25 -42.9 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.147 0.498 . . . . 0.0 110.462 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 166.49 108.23 0.21 Allowed Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.818 -179.87 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 43.2 t -64.41 144.43 57.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.785 0.326 . . . . 0.0 110.586 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -67.37 -36.32 81.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -57.48 -20.15 28.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.848 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -54.12 -28.7 41.35 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -62.47 -45.55 92.51 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.521 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -66.06 -46.77 76.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.957 0.408 . . . . 0.0 110.215 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.17 -44.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.938 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.1 -34.86 77.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.78 -48.96 74.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.601 -178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.23 -40.98 91.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.859 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 49.1 tp -56.14 -42.4 76.87 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.84 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -64.15 -41.24 97.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.987 0.423 . . . . 0.0 110.492 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.75 -41.41 98.02 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.673 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.38 -44.16 97.11 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.465 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.43 -46.59 82.53 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.241 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -68.28 -47.71 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.752 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 26.4 mm -62.5 -43.0 97.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 899' ' ' GLU . . . . . 0.479 ' OE2' ' NH2' ' A' ' 903' ' ' ARG . 83.9 tt0 -56.33 -40.6 74.68 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.871 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.04 -46.47 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.68 -40.07 94.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.669 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -59.07 -44.76 91.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.305 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 903' ' ' ARG . . . . . 0.479 ' NH2' ' OE2' ' A' ' 899' ' ' GLU . 99.5 mtt180 -65.54 -37.48 86.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 89.2 mtp -60.97 -42.02 97.5 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.32 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -65.15 -45.51 84.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.894 0.378 . . . . 0.0 110.531 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.23 -40.42 90.25 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.989 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -61.31 -42.98 99.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.457 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -63.61 -42.53 98.22 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.836 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.08 -38.72 83.74 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.26 0.552 . . . . 0.0 110.07 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.41 -37.98 89.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.985 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 44.8 t -61.43 -41.39 97.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.325 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.95 -42.2 99.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.323 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 76.9 m -61.77 -45.87 92.03 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.12 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.66 -37.51 86.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.298 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.4 -46.1 89.62 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.733 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 39.6 t -62.07 -44.48 96.59 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.277 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 35.0 mt -61.42 -41.29 96.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.214 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -61.47 -39.33 90.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.481 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -60.82 -44.69 96.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.692 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.81 -38.62 86.0 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -60.09 -40.28 89.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.986 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.46 -38.54 91.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.757 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.09 -41.04 87.08 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.193 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -64.04 -45.23 89.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.8 -47.54 71.77 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 121.042 0.449 . . . . 0.0 110.653 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.28 -42.22 95.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.142 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -57.65 -49.14 77.44 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.362 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.01 -47.31 65.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.371 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.46 -40.44 97.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.348 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 930' ' ' LEU . . . . . 0.446 ' C ' ' CD2' ' A' ' 930' ' ' LEU . 7.0 tt -62.34 -44.02 97.46 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.95 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 48.8 m -63.3 -44.55 94.68 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.978 0.418 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.25 -41.34 90.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.41 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.82 -39.79 90.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.79 -43.16 99.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.631 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.31 -46.62 89.54 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.461 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.95 -35.74 78.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.764 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 84.4 tt0 -55.98 -42.02 75.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.04 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.93 -40.46 79.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.435 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.38 -52.55 61.23 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.279 -0.569 . . . . 0.0 111.186 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 940' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' A' ' 941' ' ' ALA . 19.5 m -67.67 -44.25 86.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.628 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . 0.455 ' N ' ' CG2' ' A' ' 940' ' ' VAL . . . -56.02 -40.19 73.05 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.795 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -62.17 -45.53 93.01 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.919 -0.712 . . . . 0.0 109.857 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.38 -38.14 89.1 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.348 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 949' ' ' GLU . 2.4 mptm? -56.08 -37.08 68.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.72 -36.87 77.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.5 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 946' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 946' ' ' LEU . 9.5 mp -59.92 -45.85 91.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.132 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 57.4 t -71.52 -42.65 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.67 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 948' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 949' ' ' GLU . . . 154.39 40.9 0.02 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 948' ' ' GLY . 82.5 tt0 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.501 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 41.1 t -65.83 144.78 56.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.642 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -66.77 -36.49 82.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.688 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.27 -20.17 26.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.963 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -54.25 -28.99 45.2 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.828 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -62.47 -45.46 92.92 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.49 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -65.96 -46.5 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.273 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.61 -44.79 99.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.929 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.53 -34.9 78.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -63.6 -48.96 75.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.447 . . . . 0.0 110.555 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.13 -41.43 92.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.747 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.87 -42.3 75.67 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.894 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -64.6 -41.16 96.41 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.506 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.63 -41.64 98.24 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.425 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.88 -44.47 96.74 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.529 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.54 -46.68 81.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.338 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -68.15 -47.71 67.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.799 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 26.7 mm -62.27 -42.9 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 899' ' ' GLU . . . . . 0.471 ' OE2' ' NH2' ' B' ' 903' ' ' ARG . 84.0 tt0 -56.45 -40.73 75.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.896 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.04 -46.69 88.06 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.35 -40.37 95.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.826 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -59.04 -44.44 91.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.91 0.386 . . . . 0.0 110.263 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 903' ' ' ARG . . . . . 0.471 ' NH2' ' OE2' ' B' ' 899' ' ' GLU . 99.6 mtt180 -65.63 -37.23 86.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.451 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 88.9 mtp -60.95 -42.21 97.81 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.257 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -65.2 -45.49 84.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.965 0.412 . . . . 0.0 110.685 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.14 -40.58 90.7 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.105 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -61.24 -42.71 99.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.561 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -63.74 -42.44 97.87 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.776 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.17 -39.28 85.89 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.173 0.511 . . . . 0.0 110.043 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.11 -37.84 88.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.029 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 39.3 t -61.59 -41.31 97.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.277 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.9 -42.38 99.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.337 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 71.9 m -61.93 -45.43 93.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.153 0.501 . . . . 0.0 109.995 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.54 -37.47 86.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.052 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.16 89.9 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 42.1 t -62.01 -44.57 96.44 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.31 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.64 -40.79 96.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.197 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -62.03 -39.59 92.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.425 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -60.57 -44.3 96.33 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.775 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.75 -38.75 86.25 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.623 -0.431 . . . . 0.0 109.935 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.25 -40.51 90.58 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.231 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.52 -38.0 89.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.92 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -59.16 -41.07 87.49 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.252 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -63.99 -45.31 89.58 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.589 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.31 -47.61 72.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 121.043 0.449 . . . . 0.0 110.586 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.25 -42.21 95.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.119 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -57.61 -49.09 77.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.331 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -69.29 -47.4 64.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.711 0.291 . . . . 0.0 111.545 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.48 -40.35 96.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.23 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 930' ' ' LEU . . . . . 0.45 ' C ' ' CD2' ' B' ' 930' ' ' LEU . 7.1 tt -62.41 -43.91 97.69 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.896 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 53.1 m -63.44 -44.26 95.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.993 0.425 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.24 -41.44 90.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.278 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.72 -40.41 92.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.767 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.35 -42.68 99.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.55 -46.63 89.09 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.49 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.31 -35.31 77.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.69 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 937' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 83.8 tt0 -55.73 -42.87 75.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.837 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.09 -40.44 82.63 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.361 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -63.68 -52.74 59.31 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.227 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 940' ' ' VAL . . . . . 0.454 ' CG2' ' N ' ' B' ' 941' ' ' ALA . 18.5 m -67.8 -43.68 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.565 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 941' ' ' ALA . . . . . 0.454 ' N ' ' CG2' ' B' ' 940' ' ' VAL . . . -56.08 -40.72 74.05 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.839 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -62.04 -45.57 92.98 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.704 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.06 -38.83 92.1 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.492 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 944' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' B' ' 949' ' ' GLU . 2.4 mptm? -55.4 -37.36 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.68 -36.72 77.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.494 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 946' ' ' LEU . . . . . 0.477 ' N ' ' CD1' ' B' ' 946' ' ' LEU . 9.3 mp -60.07 -45.61 92.31 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.215 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.39 -42.64 73.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.59 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 154.11 41.3 0.02 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' B' ' 944' ' ' LYS . 84.1 tt0 . . . . . 0 C--O 1.217 -0.606 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.51 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 882' ' ' SER . . . . . 0.569 ' H ' ' ND2' ' A' ' 885' ' ' ASN . 48.4 t -157.36 153.72 27.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.537 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -67.49 -37.74 83.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -55.37 -19.85 10.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.704 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 885' ' ' ASN . . . . . 0.569 ' ND2' ' H ' ' A' ' 882' ' ' SER . 98.3 m-20 -52.98 -29.47 29.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.991 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -62.93 -45.6 91.7 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.765 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.95 -49.48 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.962 0.41 . . . . 0.0 109.947 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.74 -44.84 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.021 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -66.93 -35.54 80.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.756 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.46 -44.54 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.42 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.51 -43.22 98.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.134 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 78.4 mt -59.54 -40.12 86.21 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.474 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.16 -38.42 91.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.047 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.79 -38.77 92.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.606 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.22 -41.36 97.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 110.175 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.62 -45.0 63.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.147 0.498 . . . . 0.0 110.862 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -67.68 -48.73 65.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.306 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 898' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 899' ' ' GLU . 10.1 tp -61.39 -41.81 91.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.12 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 899' ' ' GLU . . . . . 0.452 ' N ' ' CG2' ' A' ' 898' ' ' ILE . 82.3 tt0 -59.54 -38.6 81.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.911 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.13 -43.77 98.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.233 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.03 -39.14 93.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.423 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -59.47 -46.67 88.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.77 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -65.17 -38.54 90.86 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.29 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 91.9 mtp -62.23 -43.26 99.22 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.433 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -68.06 -46.63 70.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.839 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.57 -45.15 80.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.302 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.31 -40.96 96.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.605 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -64.61 -46.33 83.09 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.916 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.94 -38.42 82.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.936 0.398 . . . . 0.0 110.438 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.61 -40.44 95.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.947 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 67.0 m -61.63 -43.4 98.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.464 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 9.9 mp -64.38 -38.1 89.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 81.7 m -58.79 -48.74 80.21 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.226 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.63 -42.79 99.79 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.137 0.494 . . . . 0.0 110.459 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.11 -39.01 93.13 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.593 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 71.0 m -59.45 -43.15 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.687 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.77 -41.65 97.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -57.91 -44.98 87.13 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.535 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -60.44 -40.35 90.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.346 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 7.4 mp -58.23 -38.36 76.69 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.586 -0.445 . . . . 0.0 109.95 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.96 -42.0 98.63 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.048 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.72 -37.55 84.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.889 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.38 -38.26 88.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.082 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.35 -41.38 98.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.013 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.12 -48.93 76.42 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.709 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 88.1 t -65.3 -41.11 90.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.034 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -56.24 -48.67 76.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.886 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.309 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.36 -38.55 91.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.215 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 5.1 tt -61.5 -44.13 97.63 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.216 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 11.6 t -64.27 -43.99 93.09 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.748 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.82 -42.24 97.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.337 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -58.88 -40.68 85.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.059 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -62.15 -46.09 90.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 935' ' ' HIS . . . . . 0.524 ' CE1' ' OE2' ' A' ' 939' ' ' GLU . 10.8 t-160 -65.97 -45.22 82.5 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.905 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 9.7 mp -65.73 -39.48 91.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.399 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 28.7 mm-40 -57.85 -44.06 86.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.52 -40.14 92.63 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 939' ' ' GLU . . . . . 0.524 ' OE2' ' CE1' ' A' ' 935' ' ' HIS . 97.8 mt-10 -66.38 -53.08 40.07 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.566 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 940' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' A' ' 941' ' ' ALA . 15.3 m -67.33 -46.36 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.712 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . 0.469 ' N ' ' CG2' ' A' ' 940' ' ' VAL . . . -56.4 -40.62 74.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.413 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.27 -44.9 95.48 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.422 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.04 -40.53 87.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.301 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.57 -37.91 85.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -53.52 -34.47 58.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.23 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.76 -50.13 74.72 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.242 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 76.6 t -73.82 -42.16 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . -172.64 -78.21 0.05 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.871 -1.061 . . . . 0.0 110.539 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 882' ' ' SER . . . . . 0.577 ' H ' ' ND2' ' B' ' 885' ' ' ASN . 45.7 t -157.85 153.53 26.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.885 0.374 . . . . 0.0 110.555 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -67.31 -36.7 82.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.56 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -56.41 -19.47 15.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 885' ' ' ASN . . . . . 0.577 ' ND2' ' H ' ' B' ' 882' ' ' SER . 98.2 m-20 -53.38 -29.1 32.87 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.956 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.19 -45.6 91.0 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -65.38 -48.85 71.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 109.988 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.1 -44.77 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 0.0 110.132 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.0 -35.58 80.27 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.719 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.58 -44.91 85.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.81 -43.47 97.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.234 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.11 -40.96 87.02 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.481 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.41 -38.98 91.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.104 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.31 -39.05 93.5 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -63.91 -41.26 97.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.042 0.449 . . . . 0.0 110.167 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.64 -45.01 63.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.104 0.478 . . . . 0.0 110.923 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -67.78 -48.46 66.28 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.253 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 898' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' B' ' 899' ' ' GLU . 10.3 tp -61.48 -41.45 90.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 899' ' ' GLU . . . . . 0.437 ' N ' ' CG2' ' B' ' 898' ' ' ILE . 80.3 tt0 -59.86 -38.6 82.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.892 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.11 -44.04 97.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.264 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.89 -39.09 93.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.467 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -59.55 -46.29 89.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.716 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -65.63 -38.35 89.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.34 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 92.7 mtp -62.22 -43.05 99.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.922 0.391 . . . . 0.0 110.516 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -68.26 -46.83 69.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.761 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.44 -44.69 82.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.333 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.47 -41.57 97.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.711 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -64.47 -46.0 84.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.828 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.76 -39.32 84.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.986 0.422 . . . . 0.0 110.466 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 68.7 mt -64.31 -40.0 95.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.871 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 68.7 m -61.55 -43.38 98.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.626 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.9 -38.02 89.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 75.1 m -58.78 -48.3 81.72 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.228 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -63.1 -42.0 99.5 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.109 0.48 . . . . 0.0 110.43 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.49 93.77 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.626 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 66.8 m -59.19 -43.63 92.21 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.665 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.24 -41.76 97.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -57.83 -45.12 86.65 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.574 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -60.12 -40.57 90.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.358 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 7.4 mp -58.06 -38.58 76.58 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.82 -41.77 98.2 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.016 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.01 -37.05 83.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.827 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.92 -38.47 91.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.07 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.01 -41.3 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.119 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.18 -48.87 76.53 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.612 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 91.9 t -65.4 -41.24 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.146 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -56.11 -47.96 77.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.4 -46.5 89.89 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.2 -38.56 89.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.972 0.415 . . . . 0.0 109.983 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.49 -44.36 97.23 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.33 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 11.1 t -63.9 -44.07 94.07 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.728 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.88 -42.41 97.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.417 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -58.93 -40.27 84.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.979 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -62.5 -46.12 89.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.837 0.351 . . . . 0.0 110.452 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 935' ' ' HIS . . . . . 0.527 ' CE1' ' OE2' ' B' ' 939' ' ' GLU . 11.0 t-160 -65.93 -45.43 81.91 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.801 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.35 -40.13 93.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.472 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 937' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 28.4 mm-40 -57.19 -44.18 83.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.361 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.28 -40.58 94.06 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.902 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 939' ' ' GLU . . . . . 0.527 ' OE2' ' CE1' ' B' ' 935' ' ' HIS . 97.9 mt-10 -65.91 -53.13 43.49 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.643 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 940' ' ' VAL . . . . . 0.47 ' CG2' ' N ' ' B' ' 941' ' ' ALA . 15.5 m -67.34 -46.18 84.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.767 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 941' ' ' ALA . . . . . 0.47 ' N ' ' CG2' ' B' ' 940' ' ' VAL . . . -56.4 -40.99 75.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.323 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -62.0 -45.3 94.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.007 0.432 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 38.7 mt -66.84 -40.7 88.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.252 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -61.33 -37.68 84.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.526 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -53.67 -34.61 59.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.34 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.81 -50.89 71.62 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.198 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 78.5 t -72.75 -42.32 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 110.347 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . -172.14 -77.73 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.47 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 882' ' ' SER . . . . . 0.583 ' HG ' HD22 ' A' ' 885' ' ' ASN . 86.7 p -74.59 159.3 32.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.735 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -66.64 -35.53 80.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.727 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -57.73 -20.95 38.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.896 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 885' ' ' ASN . . . . . 0.583 HD22 ' HG ' ' A' ' 882' ' ' SER . 9.4 m120 -56.46 -29.54 61.83 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.171 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -62.94 -45.42 92.58 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.842 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.04 -43.56 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.408 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.73 -44.41 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.348 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.69 -41.55 87.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.02 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -63.56 -45.53 90.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.557 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.23 -40.19 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . 0.514 ' CG ' ' HZ2' ' A' ' 896' ' ' LYS . 50.1 tp -59.17 -42.67 91.34 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.201 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.14 -39.33 93.8 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.175 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.09 -39.31 94.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.985 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.32 -41.69 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.129 0.49 . . . . 0.0 110.225 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 896' ' ' LYS . . . . . 0.514 ' HZ2' ' CG ' ' A' ' 892' ' ' LEU . 61.6 mttp -69.77 -44.61 69.81 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.749 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -68.51 -49.95 55.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.795 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 898' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 899' ' ' GLU . 9.8 tp -60.65 -41.97 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 899' ' ' GLU . . . . . 0.451 ' N ' ' CG2' ' A' ' 898' ' ' ILE . 90.1 mt-10 -62.22 -38.3 88.63 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.53 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -61.56 -41.23 97.08 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.072 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.4 -41.78 88.8 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.69 -39.29 93.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.51 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -63.21 -42.03 99.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.699 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 62.5 mtt -64.52 -41.96 96.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.516 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 905' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' A' ' 909' ' ' GLU . 13.6 tttp -62.36 -46.44 88.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.246 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.62 -44.95 88.9 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.786 -0.365 . . . . 0.0 111.01 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -65.74 -39.94 91.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.219 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -63.18 -45.62 90.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.173 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' A' ' 905' ' ' LYS . 98.2 mt-10 -65.52 -41.23 93.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.103 0.477 . . . . 0.0 110.268 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.55 -40.5 95.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.501 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 11.2 t -62.91 -42.32 99.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.059 0.457 . . . . 0.0 110.59 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.36 -39.54 94.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.601 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 71.8 m -61.42 -47.98 83.29 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.102 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.42 -43.87 84.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.7 -40.82 96.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.935 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 11.5 t -60.41 -40.68 91.87 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.327 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.9 -41.8 96.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.184 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -60.27 -39.04 85.43 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.061 -0.655 . . . . 0.0 110.351 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -62.43 -42.05 99.17 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.588 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.76 -39.39 84.67 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.9 -40.63 93.82 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.08 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.79 -39.13 93.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.085 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -59.62 -39.66 84.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.57 -43.86 97.76 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.068 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -64.21 -47.26 80.4 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 82.6 t -65.19 -43.99 95.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.461 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -57.92 -48.86 78.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.756 0.312 . . . . 0.0 110.585 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.11 -39.81 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.24 -41.75 98.71 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.75 -44.35 97.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.388 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 62.7 m -61.97 -43.54 98.63 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.97 -39.45 93.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.505 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -60.38 -41.62 94.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.189 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -63.52 -44.22 94.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.731 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -61.53 -45.8 92.63 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.431 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.89 -36.51 80.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.144 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -56.66 -43.06 79.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -68.38 -40.69 81.31 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.724 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -63.17 -52.1 63.75 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.283 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 16.2 m -67.97 -40.72 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.403 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.2 93.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.317 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.63 -46.2 89.34 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.489 -0.485 . . . . 0.0 109.968 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.23 -37.13 83.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.94 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.95 -38.32 64.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.072 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.13 -35.39 73.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.66 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.57 -46.52 89.92 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.037 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 75.3 t -72.0 -42.58 68.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.354 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.31 49.54 0.02 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.636 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 882' ' ' SER . . . . . 0.574 ' HG ' HD22 ' B' ' 885' ' ' ASN . 97.6 p -74.03 158.81 33.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.921 0.391 . . . . 0.0 110.632 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -66.29 -35.45 80.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -57.63 -21.15 37.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.707 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 885' ' ' ASN . . . . . 0.574 HD22 ' HG ' ' B' ' 882' ' ' SER . 9.2 m120 -56.17 -29.53 60.94 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.051 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -62.5 -45.45 92.94 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.898 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -67.37 -43.38 81.58 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.516 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.59 -44.53 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.19 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.69 -41.66 87.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.182 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -63.34 -45.75 89.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.542 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.25 -40.22 88.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.865 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 892' ' ' LEU . . . . . 0.516 ' CG ' ' HZ2' ' B' ' 896' ' ' LYS . 52.1 tp -59.0 -42.68 90.65 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.913 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -64.07 -39.74 94.72 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.254 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.07 -39.77 95.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.796 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.68 -41.39 92.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.502 . . . . 0.0 110.058 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 896' ' ' LYS . . . . . 0.516 ' HZ2' ' CG ' ' B' ' 892' ' ' LEU . 61.7 mttp -69.86 -44.86 68.98 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.808 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.7 -49.59 57.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.852 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 898' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' B' ' 899' ' ' GLU . 9.8 tp -60.79 -42.01 90.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 899' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' B' ' 898' ' ' ILE . 89.2 mt-10 -62.21 -38.41 89.05 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.5 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -61.58 -41.23 97.12 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.186 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.4 mp -66.47 -41.66 88.68 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.77 -39.4 94.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.422 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 42.8 mmm-85 -63.03 -42.28 99.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.91 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 62.7 mtt -64.31 -42.24 96.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.406 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 905' ' ' LYS . . . . . 0.483 ' NZ ' ' OE2' ' B' ' 909' ' ' GLU . 13.7 tttp -61.64 -46.51 89.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.167 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.59 -45.26 87.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.764 0.316 . . . . 0.0 111.11 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -65.73 -40.11 91.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -63.13 -45.54 91.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.142 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 909' ' ' GLU . . . . . 0.483 ' OE2' ' NZ ' ' B' ' 905' ' ' LYS . 97.3 mt-10 -65.79 -40.84 92.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.893 0.377 . . . . 0.0 110.251 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.84 -40.4 95.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.521 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 11.0 t -62.67 -42.21 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 0.0 110.507 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.9 mt -63.58 -39.77 95.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.656 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 73.8 m -61.48 -47.81 83.95 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.053 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.18 -44.01 85.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.64 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.8 -40.72 95.69 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.973 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 11.4 t -60.57 -40.55 92.08 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.053 0.454 . . . . 0.0 110.271 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.0 -41.96 97.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.21 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -60.08 -38.9 84.25 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.302 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -62.68 -42.21 99.5 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.664 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.61 -39.39 84.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.8 -41.22 95.2 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.105 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.28 -39.66 93.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.04 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -58.82 -39.74 82.08 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.83 -43.88 97.61 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.167 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -63.98 -47.42 80.45 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.77 -44.17 96.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.434 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -58.08 -48.85 78.9 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.632 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.12 -39.87 86.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.416 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.37 -41.55 98.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.05 -44.13 97.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.303 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 58.8 m -61.91 -43.63 98.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.81 -39.43 93.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.561 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.39 -41.67 94.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.207 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -63.47 -44.33 94.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.651 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -61.15 -45.71 93.5 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.398 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 93.7 mt -68.07 -36.58 80.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.218 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 937' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -56.75 -42.91 80.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.358 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -68.39 -41.14 80.92 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.602 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -62.74 -52.2 64.17 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.392 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 16.0 m -67.82 -40.62 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.407 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 941' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.3 94.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.19 -46.32 89.43 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.104 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.5 -37.0 82.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.042 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.94 -38.4 64.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.916 0.388 . . . . 0.0 109.972 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.11 -35.46 73.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.685 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.24 -46.58 89.28 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.046 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.13 -42.69 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.443 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.32 49.22 0.02 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.655 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 78.7 p -62.41 -38.41 89.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.818 0.342 . . . . 0.0 110.477 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -79.96 -18.71 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.533 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -66.67 -20.68 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.747 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -53.79 -29.62 41.08 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -62.36 -45.05 94.94 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 119.586 -0.845 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -65.31 -49.41 69.58 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.09 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.72 -44.77 97.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.069 0.462 . . . . 0.0 110.091 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -66.06 -34.59 78.43 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.866 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.52 -46.44 82.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.508 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.44 -44.11 97.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.336 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 80.3 mt -56.95 -40.0 75.61 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.972 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.74 -38.91 92.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.266 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.37 -39.31 93.61 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.14 -41.49 94.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 109.947 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.51 -43.94 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.015 0.436 . . . . 0.0 110.806 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -68.56 -48.15 64.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.273 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 898' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 899' ' ' GLU . 10.4 tp -62.94 -41.83 94.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.033 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 899' ' ' GLU . . . . . 0.511 ' OE2' ' NH2' ' A' ' 903' ' ' ARG . 81.2 tt0 -60.41 -39.79 88.65 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.047 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.82 -44.32 97.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.46 -40.94 98.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -59.37 -39.36 83.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.174 0.511 . . . . 0.0 110.366 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 903' ' ' ARG . . . . . 0.511 ' NH2' ' OE2' ' A' ' 899' ' ' GLU . 99.3 mtt180 -73.45 -35.2 65.71 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.62 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 68.6 mmm -61.35 -47.43 85.92 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.1 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 905' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 906' ' ' GLU . 51.1 pttt -69.76 -42.88 73.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.819 0.342 . . . . 0.0 110.673 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 905' ' ' LYS . 94.9 mt-10 -65.41 -40.3 93.22 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.949 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -69.29 -38.2 78.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.634 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.39 -47.26 82.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.432 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.43 -36.83 82.0 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.334 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.14 -43.06 99.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.409 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 35.9 t -64.29 -41.98 96.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.504 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.01 -40.01 96.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.413 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 79.4 m -59.68 -48.02 83.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.73 -38.34 90.75 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.014 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.54 94.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 47.8 t -60.12 -43.05 95.91 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.851 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.06 -40.73 96.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.55 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -60.48 -42.44 96.28 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 919' ' ' LYS . . . . . 0.552 ' NZ ' ' NZ ' ' B' ' 919' ' ' LYS . 43.4 mmtm -60.8 -41.93 96.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.608 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.14 -38.78 80.51 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.072 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.84 -41.52 95.99 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.256 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.4 -39.13 92.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.045 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.8 -41.18 86.15 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.054 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.73 -42.61 99.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.087 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.06 -47.04 81.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.546 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.43 -44.1 98.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.25 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -56.31 -48.08 77.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.38 -37.86 88.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.126 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.92 -42.09 99.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.088 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.32 -42.62 99.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.586 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 67.6 m -59.14 -43.31 92.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.446 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -65.13 -41.83 94.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.248 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -60.78 -42.15 96.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.233 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -59.97 -44.73 94.28 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.921 0.391 . . . . 0.0 110.325 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -60.61 -44.63 96.07 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.712 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.6 -39.32 93.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.384 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 84.0 mt-10 -55.95 -42.63 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.23 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -66.62 -41.55 88.19 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.481 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.58 -52.76 55.87 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.284 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 18.3 m -66.58 -40.76 87.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.293 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -57.17 -41.11 78.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.108 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.15 -45.67 93.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.508 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.5 -42.25 95.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.048 0.452 . . . . 0.0 110.82 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 949' ' ' GLU . 51.7 mtmt -63.93 -39.71 94.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -59.54 -39.12 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.409 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.5 -44.62 95.92 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.606 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.24 -42.38 74.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.534 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.42 43.5 0.03 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 944' ' ' LYS . 97.1 mt-10 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.623 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 78.1 p -64.14 -38.09 89.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.506 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -80.25 -18.5 49.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.366 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -66.81 -20.88 66.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.724 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.27 -29.51 47.27 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -61.92 -45.22 94.65 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.376 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -65.48 -48.93 70.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.89 0.376 . . . . 0.0 110.241 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 91.8 t -60.65 -44.84 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.248 0.547 . . . . 0.0 110.004 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.89 -34.92 79.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.775 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.43 -46.14 84.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.626 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.05 -43.71 98.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.221 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 79.9 mt -56.8 -40.22 75.56 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.833 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.81 -38.55 91.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.05 -38.71 91.7 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.694 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.44 -41.43 93.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.166 0.507 . . . . 0.0 109.807 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -71.2 -44.59 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.107 0.479 . . . . 0.0 110.768 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.29 -48.01 66.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.414 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 898' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' B' ' 899' ' ' GLU . 10.6 tp -63.11 -41.86 94.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.02 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 899' ' ' GLU . . . . . 0.492 ' OE2' ' NH2' ' B' ' 903' ' ' ARG . 79.8 tt0 -60.05 -40.38 89.22 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.156 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.45 -43.95 97.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.456 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.79 -40.97 97.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -59.36 -39.12 82.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.115 0.483 . . . . 0.0 110.364 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 903' ' ' ARG . . . . . 0.492 ' NH2' ' OE2' ' B' ' 899' ' ' GLU . 99.3 mtt180 -73.69 -35.24 65.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.684 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 69.0 mmm -61.31 -47.22 86.93 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.101 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 905' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' B' ' 906' ' ' GLU . 51.5 pttt -69.74 -43.23 72.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.86 0.362 . . . . 0.0 110.643 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 906' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' B' ' 905' ' ' LYS . 95.2 mt-10 -64.84 -40.36 95.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.008 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -69.36 -38.11 77.94 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -63.71 -47.11 82.46 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.391 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.35 -36.76 82.07 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 26.4 mt -63.18 -43.2 98.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 38.7 t -64.36 -41.67 96.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.503 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.1 -39.96 96.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 74.7 m -59.88 -47.32 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.757 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.3 -38.07 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.115 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.59 93.39 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 25.4 t -60.1 -43.17 95.76 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.59 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -40.41 95.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -60.82 -43.17 98.56 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.652 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 919' ' ' LYS . . . . . 0.552 ' NZ ' ' NZ ' ' A' ' 919' ' ' LYS . 43.4 mmtm -60.16 -42.29 94.63 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.632 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.71 -38.77 79.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.973 0.416 . . . . 0.0 110.085 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -61.04 -41.19 96.11 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.203 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.38 -39.22 92.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.023 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.9 -41.49 87.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.184 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.58 -42.51 98.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.135 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.12 -46.38 84.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.591 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.12 -43.95 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.187 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -56.31 -47.59 78.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.97 -38.1 87.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.282 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.64 -42.16 99.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.004 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.37 -42.91 99.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.741 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 71.1 m -58.85 -43.15 90.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.38 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -65.22 -41.8 94.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.349 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -61.07 -41.69 97.1 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.28 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -59.98 -45.24 93.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.833 0.349 . . . . 0.0 110.297 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -60.25 -44.48 95.23 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.724 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.92 -38.89 92.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.461 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 937' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 83.0 mt-10 -56.08 -42.78 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.244 0.34 . . . . 0.0 110.244 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.57 -41.5 88.51 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.299 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.5 -52.97 55.12 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.285 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 19.3 m -66.44 -40.86 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.85 0.357 . . . . 0.0 110.407 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 941' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -57.16 -41.05 78.49 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.07 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -60.96 -45.87 93.01 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.333 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.66 -42.77 95.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 944' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' B' ' 949' ' ' GLU . 51.3 mtmt -63.42 -39.51 94.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -59.68 -39.48 84.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.45 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.21 -44.36 96.74 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.606 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 77.9 t -71.42 -42.44 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.561 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.53 43.41 0.03 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 944' ' ' LYS . 96.2 mt-10 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.579 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 79.1 p -62.84 -35.18 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -67.25 -36.8 82.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.594 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -56.62 -19.99 18.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.777 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -55.8 -30.06 60.74 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.934 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -62.61 -45.45 92.82 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.765 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.9 -47.67 76.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.898 0.38 . . . . 0.0 110.224 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.62 -43.99 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.987 0.423 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -66.58 -37.19 84.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.177 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -63.79 -48.64 76.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.061 0.458 . . . . 0.0 110.61 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.07 -41.14 90.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.937 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.53 -42.22 78.09 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.76 -177.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -62.89 -39.54 94.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.774 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.49 -38.56 91.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.485 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.21 -40.32 93.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.079 0.466 . . . . 0.0 110.069 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.55 -44.78 70.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.293 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.6 -49.46 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.537 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 898' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 899' ' ' GLU . 11.0 tp -62.11 -40.97 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.033 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 899' ' ' GLU . . . . . 0.438 ' N ' ' CG2' ' A' ' 898' ' ' ILE . 82.2 tt0 -60.66 -39.9 90.1 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.144 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.77 -42.81 99.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.372 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.79 -40.94 98.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.358 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -59.95 -40.95 90.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.377 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.33 -37.02 86.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 86.9 mmm -62.02 -43.13 99.48 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.223 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -62.71 -47.54 83.16 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.644 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -66.8 -37.77 85.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -42.4 98.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.535 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -65.55 -43.5 89.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.425 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.98 -39.65 86.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.439 . . . . 0.0 110.255 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.76 -40.39 96.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.011 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 41.0 m -62.96 -38.19 90.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.052 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.01 -41.81 99.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.415 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 65.4 m -61.74 -44.55 96.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.09 -38.07 89.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.329 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.41 93.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 36.7 t -61.71 -42.79 99.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.215 0.531 . . . . 0.0 110.415 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.1 -39.72 91.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.206 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -61.75 -40.31 94.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -59.69 -44.65 93.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.519 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.3 -38.94 85.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.931 0.396 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -60.09 -40.85 91.0 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.344 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.09 -39.44 94.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.039 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -58.7 -41.82 87.15 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.251 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -62.83 -44.49 96.01 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . 0.497 ' HZ3' ' CD2' ' A' ' 929' ' ' LEU . 66.3 tttm -67.2 -48.74 66.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.992 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.53 -40.98 91.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.15 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.32 -48.56 80.14 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.005 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.44 -47.38 70.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.799 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.497 ' CD2' ' HZ3' ' A' ' 925' ' ' LYS . 9.1 mp -62.66 -37.82 87.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.16 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.95 -43.92 97.83 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.271 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 10.9 t -63.07 -44.62 95.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.708 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.17 -41.21 90.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.493 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 933' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 929' ' ' LEU . 7.9 m-20 -61.94 -41.75 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.024 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -61.39 -44.73 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.395 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 935' ' ' HIS . . . . . 0.521 ' CE1' ' OE2' ' A' ' 939' ' ' GLU . 10.4 t-160 -65.75 -44.28 86.37 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.456 -0.497 . . . . 0.0 110.849 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.11 -40.73 94.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.466 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 78.7 mt-10 -58.66 -43.05 89.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.59 -40.87 96.3 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.721 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 939' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 935' ' ' HIS . 98.3 mt-10 -68.83 -50.88 46.36 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.168 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.59 -45.96 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.487 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -57.62 -41.59 81.62 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.097 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -60.99 -43.07 99.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.241 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 48.2 tp -65.51 -43.58 89.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.7 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.08 -39.01 93.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.011 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.4 -35.92 68.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.68 -43.63 98.49 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.585 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 68.4 t -70.88 -42.5 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.369 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 157.33 21.7 0.03 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.5 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 77.8 p -62.7 -35.8 80.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.673 0.273 . . . . 0.0 110.639 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -66.59 -36.14 81.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.508 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -56.88 -19.82 19.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.757 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -55.83 -30.54 61.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.779 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -62.44 -45.05 94.81 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.858 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -65.17 -47.36 77.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.955 0.407 . . . . 0.0 110.199 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.05 -43.65 97.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.711 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -67.12 -37.87 84.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.2 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.08 -48.82 76.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.089 0.471 . . . . 0.0 110.485 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.92 -41.33 90.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.901 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.22 -42.06 76.65 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.767 -177.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -63.05 -40.2 97.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.753 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.98 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.354 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.59 -40.02 93.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.04 0.448 . . . . 0.0 110.016 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -70.06 -44.12 69.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.962 0.411 . . . . 0.0 111.292 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.42 -49.58 53.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.432 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 898' ' ' ILE . . . . . 0.446 ' CG2' ' N ' ' B' ' 899' ' ' GLU . 11.0 tp -61.39 -41.36 89.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.998 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 899' ' ' GLU . . . . . 0.446 ' N ' ' CG2' ' B' ' 898' ' ' ILE . 82.4 tt0 -60.39 -40.07 89.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.266 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.89 -42.46 99.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.74 -40.85 98.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.221 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.1 -41.26 92.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.537 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 903' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' B' ' 907' ' ' ARG . 98.0 mtt180 -63.97 -36.72 84.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.551 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 86.8 mmm -62.29 -43.07 99.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.412 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -62.92 -47.13 84.57 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.597 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.95 -37.82 84.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.654 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 907' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 1.0 OUTLIER -61.08 -42.94 99.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.534 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -65.37 -42.87 92.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.411 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.2 -39.8 87.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.173 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 63.5 mt -63.7 -40.42 96.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.057 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 37.8 m -63.07 -37.93 89.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.44 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.19 -41.4 99.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.338 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 72.4 m -62.02 -44.86 95.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.61 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.91 -38.78 92.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.381 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.19 93.46 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.58 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 39.9 t -61.44 -43.09 99.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.215 0.531 . . . . 0.0 110.453 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 27.7 mt -61.23 -39.51 90.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.282 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -61.89 -39.53 92.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -60.19 -44.76 94.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.401 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.25 -38.4 83.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.921 0.391 . . . . 0.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.38 -40.67 91.69 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.449 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.45 -38.49 91.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.904 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -59.35 -42.43 91.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.171 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -62.58 -44.63 95.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 925' ' ' LYS . . . . . 0.503 ' HZ3' ' CD2' ' B' ' 929' ' ' LEU . 66.1 tttm -66.85 -49.1 66.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.048 0.452 . . . . 0.0 111.075 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.35 -41.1 91.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.192 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.97 -48.58 79.56 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.969 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.47 -47.54 69.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.86 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 929' ' ' LEU . . . . . 0.503 ' CD2' ' HZ3' ' B' ' 925' ' ' LYS . 9.2 mp -62.44 -37.9 87.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.142 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.02 -43.77 98.13 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.193 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 11.2 t -63.44 -44.57 94.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.09 -40.96 91.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.412 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 933' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' B' ' 929' ' ' LEU . 8.1 m-20 -62.22 -42.01 98.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.048 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.29 -44.43 97.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 935' ' ' HIS . . . . . 0.531 ' CE1' ' OE2' ' B' ' 939' ' ' GLU . 10.7 t-160 -65.92 -44.3 85.54 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.944 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 69.8 mt -65.21 -40.49 94.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.404 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 937' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 81.7 mt-10 -58.71 -43.29 90.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.36 -41.01 96.94 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.588 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 939' ' ' GLU . . . . . 0.531 ' OE2' ' CE1' ' B' ' 935' ' ' HIS . 98.8 mt-10 -68.17 -51.04 50.26 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.261 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.58 -46.47 86.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 941' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -57.29 -41.48 79.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.055 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -61.06 -42.6 98.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.04 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 47.3 tp -66.07 -43.55 87.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -64.04 -38.51 91.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.011 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -57.07 -35.67 69.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.469 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.04 -43.8 98.06 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.469 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.81 -42.55 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.533 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 157.5 22.07 0.03 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.568 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 883' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 2.6 p 66.01 -1.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.628 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 883' ' ' HIS . . . . . 0.445 ' H ' ' C ' ' A' ' 881' ' ' GLY . 96.3 m-70 -78.3 -13.32 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.505 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -66.61 -21.18 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.803 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -55.36 -29.28 58.1 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.734 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -62.27 -45.43 93.33 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.453 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -66.13 -46.74 76.44 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.505 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 83.8 t -62.9 -46.41 96.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.24 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.74 -40.25 88.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.069 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.15 -42.18 89.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.795 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.3 mp -62.43 -42.16 94.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.4 -41.48 93.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.13 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.25 -38.56 91.63 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.091 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.07 -40.33 96.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.9 -41.14 95.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.79 -42.91 97.65 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.559 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.2 -47.97 63.36 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 29.7 mm -63.95 -43.78 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.77 -39.17 87.81 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.122 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.64 -43.63 98.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.468 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.396 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -57.89 -46.44 84.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.85 0.357 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.19 -37.69 84.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.99 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 84.2 mmm -61.77 -44.87 96.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.967 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -65.41 -45.25 84.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.796 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -66.7 -45.82 77.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.023 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.04 -38.21 85.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -63.89 -43.83 94.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.874 0.369 . . . . 0.0 110.496 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.91 -38.41 90.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.275 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 910' ' ' LEU . . . . . 0.487 ' O ' ' OE2' ' A' ' 914' ' ' GLU . 8.4 mp -63.8 -41.24 97.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.268 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 10.3 t -62.39 -40.43 96.46 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.635 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.86 -40.66 98.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.019 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -61.71 -45.78 92.48 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.025 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . 0.487 ' OE2' ' O ' ' A' ' 910' ' ' LEU . 1.1 mp0 -65.94 -45.01 83.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.55 -41.21 96.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.704 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 50.3 m -60.58 -39.23 87.28 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.203 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.78 -42.31 98.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.072 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -58.66 -42.72 89.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.622 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -61.07 -41.88 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.585 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.11 -38.63 83.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -60.77 -40.95 94.45 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.102 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.05 -38.32 90.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.51 -41.74 90.63 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.251 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.69 -41.8 99.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.217 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -62.39 -47.24 85.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.466 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 97.7 t -65.44 -44.54 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.096 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.73 -48.61 81.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.232 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.89 -42.72 94.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.975 0.417 . . . . 0.0 110.636 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . 0.463 ' O ' ' ND2' ' A' ' 933' ' ' ASN . 38.5 mt -63.54 -39.23 93.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.575 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.63 -42.15 98.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.215 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 14.9 p -61.55 -44.59 96.76 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.058 0.456 . . . . 0.0 110.968 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.35 -42.95 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 933' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 929' ' ' LEU . 62.8 m-80 -60.7 -39.96 90.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.838 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.91 -40.92 90.47 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.08 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 935' ' ' HIS . . . . . 0.521 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 80.1 t60 -59.94 -46.01 90.78 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.164 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.404 ' CD2' ' N ' ' A' ' 936' ' ' LEU . 4.1 mm? -69.3 -34.36 74.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.244 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 80.2 tt0 -61.1 -45.0 96.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.582 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -66.26 -42.09 88.99 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.272 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 939' ' ' GLU . . . . . 0.521 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 99.0 mt-10 -66.82 -51.11 59.46 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.239 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 68.0 t -66.51 -45.53 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.617 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -58.22 -37.25 74.47 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.38 -44.72 96.68 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.499 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 30.9 mt -66.15 -40.44 90.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.069 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -60.45 -37.94 82.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.724 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -53.29 -32.92 51.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.388 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 54.4 mt -60.78 -49.1 78.84 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.179 -0.609 . . . . 0.0 110.162 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 75.6 t -74.26 -42.38 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.035 0.445 . . . . 0.0 110.435 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . -176.67 -71.04 0.06 OUTLIER Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.601 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 881' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' B' ' 883' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 1.8 p 65.75 -0.76 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.661 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 883' ' ' HIS . . . . . 0.451 ' H ' ' C ' ' B' ' 881' ' ' GLY . 95.6 m-70 -78.89 -12.59 60.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.608 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -67.36 -21.13 65.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -55.37 -29.19 57.95 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.671 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -62.39 -45.23 94.06 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.621 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -66.5 -46.14 77.25 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.482 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.19 -46.37 96.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.215 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.95 -40.47 87.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.05 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.19 -41.97 89.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.853 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.3 mp -62.45 -42.25 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 66.7 mt -60.48 -41.6 94.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.229 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.23 -38.22 90.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.103 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.31 -39.98 95.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.17 -41.33 96.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.853 0.358 . . . . 0.0 110.064 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.7 -42.93 97.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.619 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.24 -47.81 63.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.179 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 29.7 mm -64.01 -43.71 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.9 -39.26 88.66 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.12 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.67 -43.57 98.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.4 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.26 -40.41 97.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.416 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -57.87 -46.44 84.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.944 0.402 . . . . 0.0 110.546 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.7 -38.18 86.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.069 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.59 -44.82 96.3 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.929 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -65.47 -45.28 84.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -66.72 -45.75 77.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.066 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -60.91 -38.21 84.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.511 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -64.22 -43.32 95.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.344 . . . . 0.0 110.535 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.02 -38.53 91.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.281 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 910' ' ' LEU . . . . . 0.486 ' O ' ' OE2' ' B' ' 914' ' ' GLU . 8.5 mp -63.9 -41.17 97.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.229 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 9.3 t -62.24 -40.54 96.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.636 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.8 -40.84 98.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.104 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 77.4 m -61.68 -45.83 92.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.029 0.442 . . . . 0.0 110.172 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 914' ' ' GLU . . . . . 0.486 ' OE2' ' O ' ' B' ' 910' ' ' LEU . 1.1 mp0 -65.84 -45.08 83.56 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.27 96.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.683 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 49.1 m -60.63 -39.39 88.09 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.288 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.61 -42.22 98.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.103 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -58.87 -42.33 89.17 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.575 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -61.35 -42.08 98.11 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.5 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.05 -38.71 83.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.77 -41.01 94.67 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.094 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.11 -38.41 91.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.805 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.14 -41.74 89.03 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.269 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -62.65 -41.69 99.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.186 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -62.58 -47.21 84.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.476 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.53 -44.59 93.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.079 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -60.68 -48.71 80.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.9 -42.8 94.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.974 0.416 . . . . 0.0 110.704 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 929' ' ' LEU . . . . . 0.49 ' O ' ' ND2' ' B' ' 933' ' ' ASN . 38.7 mt -63.45 -39.27 94.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.6 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.61 -42.11 98.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.197 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 13.8 p -61.56 -44.52 96.88 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.053 0.454 . . . . 0.0 111.005 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.42 -42.99 91.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.527 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 933' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 929' ' ' LEU . 63.1 m-80 -60.62 -39.78 89.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.814 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.91 -41.0 90.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.127 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 935' ' ' HIS . . . . . 0.515 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 82.0 t60 -60.04 -45.82 91.57 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.149 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 936' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' B' ' 936' ' ' LEU . 4.2 mm? -69.18 -34.33 74.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.235 178.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 937' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 80.5 tt0 -61.22 -45.11 95.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.15 -42.13 89.48 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.201 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 939' ' ' GLU . . . . . 0.515 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.9 mt-10 -66.91 -51.25 57.63 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.379 -0.529 . . . . 0.0 111.177 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 76.5 t -66.31 -45.35 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.659 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 941' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -58.48 -37.05 74.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -61.32 -44.76 96.67 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 33.4 mt -66.42 -40.24 89.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.064 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -60.31 -38.03 82.42 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.657 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -53.46 -33.1 52.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.68 -49.2 78.45 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.265 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 75.1 t -74.12 -42.38 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.105 0.479 . . . . 0.0 110.493 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . -176.68 -71.06 0.06 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.572 -179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . 0.449 ' O ' ' ND2' ' A' ' 885' ' ' ASN . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 46.7 t -60.82 -43.32 98.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 110.64 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 883' ' ' HIS . . . . . 0.499 ' CE1' ' NZ ' ' A' ' 886' ' ' LYS . 78.0 t60 -64.61 -39.31 93.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.571 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -59.36 -20.19 52.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 885' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 881' ' ' GLY . 3.7 m120 -55.17 -29.47 57.88 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.865 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 886' ' ' LYS . . . . . 0.499 ' NZ ' ' CE1' ' A' ' 883' ' ' HIS . 88.3 mttt -63.04 -45.48 92.09 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.674 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.49 -45.94 81.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.397 . . . . 0.0 110.233 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.91 -43.83 96.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -66.41 -38.28 87.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.087 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -63.19 -47.22 83.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.968 0.413 . . . . 0.0 110.586 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.18 -41.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.266 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 40.4 mt -57.96 -41.4 82.79 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.151 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -63.26 -38.35 90.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.944 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.64 -37.93 89.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.56 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . 0.592 ' CG ' ' HZ3' ' B' ' 944' ' ' LYS . 97.5 mt-10 -61.93 -40.14 94.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -63.46 -43.98 95.81 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.311 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -68.12 -42.18 80.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 5.0 mm -64.24 -44.0 97.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.745 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -60.07 -39.6 86.61 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.991 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -62.14 -43.52 98.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.84 -41.48 99.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.539 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 902' ' ' GLN . . . . . 0.546 ' NE2' ' OE2' ' B' ' 937' ' ' GLU . 95.2 mm-40 -60.23 -47.21 86.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 903' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 907' ' ' ARG . 90.9 mtm180 -66.62 -39.39 88.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.508 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 84.7 mmm -63.83 -44.24 93.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.67 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 905' ' ' LYS . . . . . 0.498 ' HZ1' ' CD1' ' B' ' 930' ' ' LEU . 28.0 tttt -65.0 -47.71 76.54 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.795 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -67.27 -38.94 85.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.056 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 907' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 903' ' ' ARG . 13.6 mmm180 -60.71 -43.52 97.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.86 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -64.96 -43.89 91.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.898 0.38 . . . . 0.0 110.604 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.39 -39.35 86.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.234 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.52 -38.71 92.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.316 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 67.6 m -61.54 -41.34 97.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.506 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.96 -41.63 99.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 70.6 m -60.32 -46.4 90.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.0 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.85 -38.01 89.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.303 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.21 94.81 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 916' ' ' SER . . . . . 0.511 ' CA ' ' HZ2' ' B' ' 919' ' ' LYS . 42.1 t -63.1 -45.44 92.06 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.687 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -41.94 98.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.724 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -59.35 -41.69 89.78 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.173 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 919' ' ' LYS . . . . . 0.521 ' HZ2' ' CA ' ' B' ' 916' ' ' SER . 55.1 mtpt -60.1 -41.28 92.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.526 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.29 -38.56 83.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.29 -41.77 94.07 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.107 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 922' ' ' LEU . . . . . 0.403 ' CD1' ' OE1' ' B' ' 908' ' ' GLN . 4.1 mm? -62.27 -38.91 91.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.147 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.07 -39.52 82.35 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.514 -0.475 . . . . 0.0 110.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.09 -44.54 95.43 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.243 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.85 -46.4 78.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.903 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.11 -41.87 92.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.355 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -57.8 -48.95 78.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.969 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -68.58 -44.53 74.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.76 -40.48 97.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 930' ' ' LEU . . . . . 0.467 ' CD1' ' HZ1' ' B' ' 905' ' ' LYS . 5.8 tt -62.43 -43.9 97.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.165 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 67.3 m -63.62 -44.38 94.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.963 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.71 -43.72 88.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.394 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -59.91 -41.15 91.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.905 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 934' ' ' TYR . . . . . 0.484 ' CE2' ' ND2' ' A' ' 938' ' ' ASN . 90.7 t80 -60.36 -42.24 95.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.274 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 935' ' ' HIS . . . . . 0.513 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 86.8 t60 -65.47 -45.54 83.31 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.162 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 10.4 mp -65.22 -37.77 88.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.282 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . 0.541 ' OE2' ' NE2' ' B' ' 902' ' ' GLN . 75.3 mt-10 -63.06 -44.49 95.67 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.769 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 938' ' ' ASN . . . . . 0.484 ' ND2' ' CE2' ' A' ' 934' ' ' TYR . 92.7 m-20 -62.91 -43.39 98.92 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.222 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 939' ' ' GLU . . . . . 0.513 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 98.8 mt-10 -72.01 -50.9 24.78 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.271 -0.572 . . . . 0.0 111.572 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.57 -46.3 93.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.33 -36.42 75.63 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.22 -46.64 89.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.49 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.05 -34.28 73.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . 0.598 ' HZ3' ' CG ' ' B' ' 895' ' ' GLU . 3.4 tppt? -57.47 -36.84 71.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.244 -178.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.9 -35.73 75.48 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.904 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.12 -50.78 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.466 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 86.4 t -80.32 -42.78 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.03 0.443 . . . . 0.0 110.8 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 165.54 106.97 0.2 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.612 -179.9 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 881' ' ' GLY . . . . . 0.482 ' O ' ' ND2' ' B' ' 885' ' ' ASN . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 47.2 t -60.52 -43.55 96.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 110.533 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 883' ' ' HIS . . . . . 0.5 ' CE1' ' NZ ' ' B' ' 886' ' ' LYS . 75.2 t60 -64.69 -39.39 93.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.486 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -59.33 -20.24 52.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 885' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' B' ' 881' ' ' GLY . 3.4 m120 -55.06 -29.5 57.62 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.976 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 886' ' ' LYS . . . . . 0.5 ' NZ ' ' CE1' ' B' ' 883' ' ' HIS . 87.3 mttt -62.77 -45.32 93.23 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.625 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -65.53 -46.0 81.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 110.352 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.94 -43.69 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -66.33 -38.61 88.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -63.05 -47.36 83.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.957 0.408 . . . . 0.0 110.545 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.13 -41.98 93.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.227 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 39.6 mt -58.01 -41.44 83.12 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.012 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -63.27 -38.26 90.46 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.977 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.51 -38.26 90.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.532 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . 0.598 ' CG ' ' HZ3' ' A' ' 944' ' ' LYS . 96.3 mt-10 -61.8 -40.24 94.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -63.32 -43.84 96.64 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.231 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.28 -42.11 80.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.25 -44.03 97.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.03 -39.93 87.59 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.274 -0.571 . . . . 0.0 110.009 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.83 -43.45 98.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.594 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.04 -41.47 99.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.627 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 902' ' ' GLN . . . . . 0.541 ' NE2' ' OE2' ' A' ' 937' ' ' GLU . 94.8 mm-40 -60.16 -46.74 88.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 903' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' B' ' 907' ' ' ARG . 90.7 mtm180 -66.9 -39.55 87.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.49 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 84.0 mmm -63.62 -44.41 94.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.708 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 905' ' ' LYS . . . . . 0.467 ' HZ1' ' CD1' ' A' ' 930' ' ' LEU . 28.5 tttt -65.04 -47.81 76.07 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.883 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -67.15 -38.81 86.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 907' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 13.5 mmm180 -60.7 -43.88 97.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.874 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 908' ' ' GLN . . . . . 0.403 ' OE1' ' CD1' ' A' ' 922' ' ' LEU . 98.2 mm-40 -64.67 -43.57 93.15 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.606 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.56 -39.18 87.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.192 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.67 -38.77 92.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.151 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 73.6 m -61.47 -41.45 97.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.425 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.91 -41.62 99.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 74.2 m -60.43 -46.46 89.96 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.97 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.72 -37.89 89.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.249 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.12 95.09 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 916' ' ' SER . . . . . 0.521 ' CA ' ' HZ2' ' A' ' 919' ' ' LYS . 38.5 t -63.35 -45.16 92.47 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.66 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -42.07 98.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.707 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -59.39 -41.48 89.48 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.128 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 919' ' ' LYS . . . . . 0.511 ' HZ2' ' CA ' ' A' ' 916' ' ' SER . 55.4 mtpt -60.15 -41.57 93.04 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.634 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.08 -38.5 83.09 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.32 -41.81 94.29 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.161 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.22 -38.89 90.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.183 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.02 -39.66 82.59 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.041 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.97 -44.4 96.15 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.288 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.86 -46.31 78.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.32 -42.01 92.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.372 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -57.67 -48.87 78.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.988 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -68.73 -44.35 74.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.96 -40.4 97.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.354 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 930' ' ' LEU . . . . . 0.498 ' CD1' ' HZ1' ' A' ' 905' ' ' LYS . 5.9 tt -62.49 -43.76 98.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.192 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 68.1 m -63.64 -44.45 93.83 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.868 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.02 -43.71 86.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.421 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -60.08 -40.82 90.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 934' ' ' TYR . . . . . 0.496 ' CE2' ' ND2' ' B' ' 938' ' ' ASN . 90.8 t80 -60.67 -42.59 97.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.319 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 935' ' ' HIS . . . . . 0.522 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 86.6 t60 -65.34 -45.46 84.12 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.037 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.16 -37.44 87.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.291 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 937' ' ' GLU . . . . . 0.546 ' OE2' ' NE2' ' A' ' 902' ' ' GLN . 73.7 mt-10 -63.29 -44.46 94.97 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 938' ' ' ASN . . . . . 0.496 ' ND2' ' CE2' ' B' ' 934' ' ' TYR . 93.3 m-20 -63.01 -43.45 98.74 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.336 -0.546 . . . . 0.0 111.174 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 939' ' ' GLU . . . . . 0.522 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.9 mt-10 -71.85 -50.8 26.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.534 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.64 -46.22 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.858 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 941' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.57 -36.04 75.43 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -60.19 -46.75 88.66 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.528 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.98 -35.05 74.14 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.845 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 944' ' ' LYS . . . . . 0.592 ' HZ3' ' CG ' ' A' ' 895' ' ' GLU . 3.4 tppt? -56.53 -36.77 69.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.239 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.1 -36.06 76.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.923 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 62.3 mt -58.14 -50.52 73.22 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.334 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.31 -42.82 21.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.055 0.455 . . . . 0.0 110.827 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 165.17 107.13 0.2 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.656 -179.916 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 56.1 m -60.37 -43.27 96.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 110.598 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -67.73 -37.84 82.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.641 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -55.8 -20.17 14.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.824 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -53.86 -29.89 43.26 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -63.2 -45.26 92.58 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.778 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -64.3 -49.54 71.39 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 86.3 t -61.29 -47.36 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.241 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.92 -31.86 73.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.939 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -64.12 -45.3 89.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.33 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.73 -42.75 95.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.939 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.37 -39.6 80.04 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.272 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.75 -39.06 92.96 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.461 -0.495 . . . . 0.0 109.919 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.95 -37.8 88.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.482 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . 0.441 ' CG ' ' HZ2' ' B' ' 944' ' ' LYS . 97.5 mt-10 -63.16 -44.96 94.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.915 0.388 . . . . 0.0 110.366 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -68.16 -43.92 77.14 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -70.22 -51.04 33.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.382 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 898' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 899' ' ' GLU . 9.6 tp -59.9 -40.69 83.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.974 0.416 . . . . 0.0 110.044 -179.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 899' ' ' GLU . . . . . 0.524 ' CG ' ' NH1' ' A' ' 903' ' ' ARG . 81.0 tt0 -62.99 -38.76 92.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.252 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.56 -44.07 97.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.87 -40.48 96.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -58.49 -48.09 81.94 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.647 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 903' ' ' ARG . . . . . 0.524 ' NH1' ' CG ' ' A' ' 899' ' ' GLU . 59.3 mtt85 -64.99 -41.04 95.76 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.08 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 92.0 mtp -64.74 -46.63 81.39 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.19 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 905' ' ' LYS . . . . . 0.519 ' HZ1' HD21 ' B' ' 933' ' ' ASN . 99.5 mttt -67.13 -44.55 79.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.051 0.453 . . . . 0.0 110.575 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.49 -43.23 85.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 907' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 903' ' ' ARG . 20.5 mmt85 -63.07 -40.59 98.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -61.39 -45.96 92.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.334 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.15 -39.15 85.34 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.571 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.67 -40.02 95.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.514 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 71.0 m -61.76 -41.58 97.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.68 -38.84 92.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 74.2 m -59.93 -45.11 93.67 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.076 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.72 -44.25 86.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.698 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.74 96.6 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 63.6 m -60.34 -40.34 90.33 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.373 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 34.6 mt -61.6 -42.35 98.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.37 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -58.8 -42.29 88.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.195 0.521 . . . . 0.0 110.582 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -60.99 -42.66 98.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.621 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 7.7 mp -59.81 -38.02 80.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.976 0.417 . . . . 0.0 110.16 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.92 -42.87 98.97 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.493 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.28 -37.27 86.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.975 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.6 -38.63 85.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.093 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -66.35 -40.3 89.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.327 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -65.14 -52.07 57.41 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.482 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.6 -38.09 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.08 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -56.76 -44.76 82.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.249 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 928' ' ' GLU . . . . . 0.424 ' O ' ' OG ' ' A' ' 931' ' ' SER . 93.5 mt-10 -63.72 -38.47 91.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.97 0.415 . . . . 0.0 110.297 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.01 -41.15 99.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.097 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 41.7 tp -61.99 -42.51 99.23 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.135 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 931' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 928' ' ' GLU . 72.6 p -58.8 -42.8 89.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.48 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 932' ' ' LYS . . . . . 0.42 ' N ' ' HG ' ' A' ' 931' ' ' SER . 98.6 mttt -62.51 -38.72 91.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.984 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 933' ' ' ASN . . . . . 0.512 HD21 ' HZ1' ' B' ' 905' ' ' LYS . 7.3 t-20 -59.57 -41.32 89.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.974 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.05 -46.13 91.96 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.181 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 935' ' ' HIS . . . . . 0.523 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 86.3 t60 -65.58 -43.91 88.28 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.66 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.19 -39.37 93.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.374 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 41.3 mm-40 -59.82 -41.5 91.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.169 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.19 -41.79 96.95 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.672 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 939' ' ' GLU . . . . . 0.523 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 98.4 mt-10 -68.63 -50.54 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.72 -44.54 93.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.443 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.55 -37.95 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.885 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.26 -46.48 90.19 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.264 -0.575 . . . . 0.0 109.648 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 89.2 mt -70.0 -33.59 72.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.715 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . 0.429 ' HZ2' ' CG ' ' B' ' 895' ' ' GLU . 2.8 tppt? -58.19 -37.25 74.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.41 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.88 -34.62 74.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.76 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.65 -45.39 92.15 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.468 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 98.4 t -88.64 -42.04 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 0.0 110.62 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 167.97 107.14 0.2 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.577 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 56.4 m -60.07 -43.19 95.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.487 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -67.76 -37.77 82.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -55.92 -19.91 13.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -54.23 -29.93 48.28 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.77 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -63.08 -45.25 93.01 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.689 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -64.44 -49.46 71.37 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.037 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 85.5 t -61.29 -47.23 94.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.121 0.486 . . . . 0.0 110.187 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.96 -31.6 72.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.93 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -64.32 -45.65 86.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.341 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.46 -42.74 95.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.855 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.36 -39.65 80.13 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.284 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.58 -38.73 91.27 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.101 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.51 -38.18 90.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.52 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . 0.429 ' CG ' ' HZ2' ' A' ' 944' ' ' LYS . 96.3 mt-10 -62.71 -45.02 94.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.903 0.383 . . . . 0.0 110.336 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -67.95 -44.02 77.71 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.35 -51.24 31.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.37 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 898' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' B' ' 899' ' ' GLU . 9.6 tp -59.55 -40.54 82.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.046 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 899' ' ' GLU . . . . . 0.523 ' CG ' ' NH1' ' B' ' 903' ' ' ARG . 81.4 tt0 -63.3 -38.33 90.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.191 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.87 -43.98 97.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.87 -40.71 97.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.616 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -58.42 -48.11 81.74 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.684 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 903' ' ' ARG . . . . . 0.523 ' NH1' ' CG ' ' B' ' 899' ' ' GLU . 58.3 mtt85 -64.97 -40.9 95.68 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.119 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 91.4 mtp -64.82 -46.6 81.29 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.167 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 905' ' ' LYS . . . . . 0.512 ' HZ1' HD21 ' A' ' 933' ' ' ASN . 99.5 mttt -67.08 -44.55 79.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 110.725 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.39 -43.18 86.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 907' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 21.0 mmt85 -62.97 -40.48 97.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -61.62 -46.09 91.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.428 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.95 -38.79 83.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.988 0.423 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.8 -40.3 96.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.556 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 74.1 m -61.72 -41.54 97.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.337 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.92 -39.03 93.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.295 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 71.8 m -59.7 -45.01 93.42 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.994 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.82 -44.63 85.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.55 97.45 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.932 0.396 . . . . 0.0 110.694 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 70.3 m -60.56 -40.63 92.33 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.458 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 34.1 mt -61.5 -42.15 98.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -59.03 -42.37 90.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.138 0.494 . . . . 0.0 110.489 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -60.71 -42.83 98.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.638 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 7.8 mp -59.81 -37.95 80.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.141 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.85 -43.08 98.81 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.493 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.03 -36.77 84.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.101 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.08 -38.9 87.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.216 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -66.23 -39.82 89.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.399 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.45 -51.98 56.37 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.502 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.95 -37.81 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.089 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -56.99 -44.32 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 928' ' ' GLU . . . . . 0.429 ' O ' ' OG ' ' B' ' 931' ' ' SER . 93.3 mt-10 -64.05 -38.68 91.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.338 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.93 -41.18 99.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.198 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 42.8 tp -61.9 -42.56 99.22 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.043 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 931' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 928' ' ' GLU . 63.1 p -58.88 -42.61 89.93 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.13 0.491 . . . . 0.0 110.385 -179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.66 -38.82 91.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.046 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 933' ' ' ASN . . . . . 0.519 HD21 ' HZ1' ' A' ' 905' ' ' LYS . 7.6 t-20 -59.57 -41.15 89.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.011 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.05 -46.12 91.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.105 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 935' ' ' HIS . . . . . 0.513 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 86.3 t60 -65.47 -44.04 88.4 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.78 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.21 -39.5 94.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.281 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 937' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 41.1 mm-40 -59.43 -41.68 90.16 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.284 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -63.92 -41.93 97.53 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.723 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 939' ' ' GLU . . . . . 0.513 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.5 mt-10 -68.48 -50.44 52.34 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.984 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.07 -44.6 91.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.445 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 941' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.13 -38.3 79.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.774 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.25 -46.42 90.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.733 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.01 -33.22 71.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.821 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 944' ' ' LYS . . . . . 0.441 ' HZ2' ' CG ' ' A' ' 895' ' ' GLU . 2.7 tppt? -58.56 -37.29 75.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.297 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -60.93 -34.1 74.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.776 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.22 -44.08 95.46 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.392 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 98.3 t -90.22 -41.85 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.543 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 168.06 107.12 0.2 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.523 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 23.2 m -72.05 146.68 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.716 0.293 . . . . 0.0 110.377 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -79.6 -18.68 51.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.65 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -69.64 -20.89 63.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.983 0.421 . . . . 0.0 110.715 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -54.49 -28.8 47.49 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.717 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -62.03 -45.25 94.4 Favored 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.565 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.47 -46.17 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.05 0.452 . . . . 0.0 110.321 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.99 -44.42 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.277 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -67.23 -41.62 85.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.595 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -65.07 -49.61 69.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.033 0.444 . . . . 0.0 110.819 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.44 -41.76 93.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.053 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 57.4 tp -55.81 -42.76 76.12 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.13 -39.86 94.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.5 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.0 -39.79 95.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.938 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.99 -41.54 90.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.175 0.512 . . . . 0.0 110.223 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.22 -45.1 67.25 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.829 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.59 -48.86 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.713 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 898' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 899' ' ' GLU . 10.2 tp -61.49 -42.18 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.118 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 899' ' ' GLU . . . . . 0.452 ' N ' ' CG2' ' A' ' 898' ' ' ILE . 87.4 mt-10 -61.87 -38.6 88.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.846 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.37 -43.89 98.09 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.374 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.02 -41.33 86.82 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.902 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.45 -39.39 93.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.347 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 903' ' ' ARG . . . . . 0.666 ' NH2' HH21 ' A' ' 907' ' ' ARG . 16.8 mmm180 -62.95 -45.48 92.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 91.3 mtp -65.68 -41.82 92.0 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.681 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -61.15 -45.96 92.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.508 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.45 -40.09 92.8 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.897 0.379 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 907' ' ' ARG . . . . . 0.666 HH21 ' NH2' ' A' ' 903' ' ' ARG . 95.1 mtt-85 -69.34 -39.28 78.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.335 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -63.23 -48.61 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.089 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -68.39 -36.51 79.26 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.098 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.79 -43.02 99.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.334 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 70.3 m -62.33 -42.59 99.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.274 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.62 -37.67 88.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.354 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -60.52 -47.18 87.27 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.074 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.19 -45.65 80.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 915' ' ' ALA . . . . . 0.413 ' CB ' ' HZ2' ' B' ' 919' ' ' LYS . . . -64.95 -39.09 92.97 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.813 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 40.9 t -60.78 -41.41 95.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.297 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 33.9 mt -61.06 -41.27 96.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.106 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -60.16 -39.42 86.35 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.433 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 919' ' ' LYS . . . . . 0.43 ' HZ2' ' CB ' ' B' ' 915' ' ' ALA . 69.1 mmtt -62.37 -42.45 99.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.727 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.62 -39.51 84.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.72 -41.37 95.13 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.078 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.31 -39.54 93.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.999 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -58.69 -39.52 80.94 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.126 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.33 -43.02 99.79 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.043 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.85 -48.62 76.02 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.752 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.35 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -57.44 -48.93 77.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.061 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.55 -46.86 77.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.305 . . . . 0.0 111.32 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.78 -39.35 94.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.03 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.53 -43.39 98.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.736 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 8.4 p -62.16 -43.98 97.62 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.659 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -65.85 -41.32 91.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.533 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -60.78 -41.77 96.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.055 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -62.24 -45.55 92.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.837 0.351 . . . . 0.0 110.259 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -65.13 -44.79 87.53 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.868 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.68 -39.81 94.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.167 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 70.6 mt-10 -56.83 -42.48 79.73 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.96 -40.51 91.34 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.01 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.35 -52.52 53.23 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.297 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 22.0 m -67.53 -41.17 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.113 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -60.17 -42.06 94.19 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.145 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.78 -47.97 82.77 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.877 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 99.5 mt -69.48 -39.27 77.78 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.063 0.458 . . . . 0.0 111.734 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 949' ' ' GLU . 45.5 mtpt -60.71 -38.91 86.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.435 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -60.38 -38.04 82.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.16 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.21 -44.43 96.6 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.43 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 61.2 t -71.11 -42.42 76.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.584 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.64 45.55 0.03 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 944' ' ' LYS . 97.5 mt-10 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 21.5 m -70.89 146.58 49.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.311 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -79.76 -18.46 51.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -69.51 -20.45 63.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.788 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -54.87 -28.93 53.88 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.659 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -61.9 -45.38 94.0 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.515 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -67.19 -46.75 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.14 0.495 . . . . 0.0 110.411 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.43 -44.71 99.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.287 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.1 -41.45 86.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.669 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.12 -49.49 69.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 110.799 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.41 -41.77 93.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.004 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 57.7 tp -55.97 -42.82 76.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.35 -39.64 94.29 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.407 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.88 -39.86 95.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.86 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.12 -41.74 90.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.127 0.489 . . . . 0.0 110.169 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.83 -44.84 69.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.022 0.439 . . . . 0.0 110.893 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -69.1 -49.0 61.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.627 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 898' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' B' ' 899' ' ' GLU . 10.0 tp -61.35 -41.99 91.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.107 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 899' ' ' GLU . . . . . 0.449 ' N ' ' CG2' ' B' ' 898' ' ' ILE . 88.7 mt-10 -61.92 -38.85 89.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.46 -43.71 98.39 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.331 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.84 -41.41 87.44 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.937 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.4 -39.53 93.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.345 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 903' ' ' ARG . . . . . 0.659 ' NH2' HH21 ' B' ' 907' ' ' ARG . 17.1 mmm180 -62.74 -45.44 92.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 92.1 mtp -65.75 -41.82 91.67 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.694 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.09 -45.87 92.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.549 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.56 -40.07 92.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.959 0.409 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 907' ' ' ARG . . . . . 0.659 HH21 ' NH2' ' B' ' 903' ' ' ARG . 95.2 mtt-85 -69.28 -39.22 78.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.286 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -63.39 -48.55 77.42 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.153 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -68.36 -36.52 79.33 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.119 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.0 -42.86 99.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.233 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 69.1 m -62.39 -42.6 99.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.226 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.69 -37.69 88.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.366 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 73.0 m -60.39 -47.22 87.01 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.062 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.2 -45.73 79.76 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.08 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 915' ' ' ALA . . . . . 0.43 ' CB ' ' HZ2' ' A' ' 919' ' ' LYS . . . -64.9 -39.12 93.03 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.778 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 44.5 t -60.65 -41.35 94.79 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.287 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 33.2 mt -61.05 -41.29 96.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.107 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -60.24 -39.33 86.32 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.458 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 919' ' ' LYS . . . . . 0.413 ' HZ2' ' CB ' ' A' ' 915' ' ' ALA . 69.2 mmtt -62.47 -42.42 99.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.697 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.54 -39.69 84.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.67 -41.32 94.82 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.155 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.31 -39.61 93.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.081 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -58.47 -39.48 80.07 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.125 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.39 -43.43 98.84 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.985 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.52 -48.36 77.87 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.737 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 88.5 t -64.47 -40.83 90.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.076 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -57.15 -49.0 77.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.044 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.48 -46.99 77.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.759 0.314 . . . . 0.0 111.344 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.76 -39.21 93.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.926 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.6 -43.43 98.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.779 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 6.5 p -62.33 -43.74 98.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.612 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -65.98 -41.54 91.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.657 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -60.73 -41.8 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.086 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -62.13 -45.75 92.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.904 0.383 . . . . 0.0 110.443 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -64.98 -44.69 88.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.892 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.81 -39.75 94.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.137 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 937' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 70.1 mt-10 -56.62 -42.53 78.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.184 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -66.09 -40.6 90.91 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.024 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.12 -52.3 56.13 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.298 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 21.2 m -67.63 -41.16 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.11 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 941' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -60.2 -42.18 94.56 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.271 -0.571 . . . . 0.0 110.165 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -61.77 -47.91 83.05 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.809 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.54 -39.18 77.62 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 111.694 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 944' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' B' ' 949' ' ' GLU . 45.5 mtpt -60.75 -38.88 86.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.45 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -60.32 -37.94 82.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.224 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.39 -44.3 96.78 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.457 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 71.0 t -71.15 -42.56 75.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.575 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.02 45.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 944' ' ' LYS . 97.0 mt-10 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.615 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 882' ' ' SER . . . . . 0.626 ' HG ' ' ND2' ' A' ' 885' ' ' ASN . 2.5 t 48.26 91.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.877 0.37 . . . . 0.0 110.682 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -83.58 -16.49 45.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.766 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -64.53 -19.2 65.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.521 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 885' ' ' ASN . . . . . 0.626 ' ND2' ' HG ' ' A' ' 882' ' ' SER . 91.7 m-20 -53.18 -28.37 26.12 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 886' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 887' ' ' GLN . 24.1 pttm -61.49 -45.28 94.92 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.675 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 886' ' ' LYS . 54.4 tt0 -68.01 -39.48 83.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.455 0.645 . . . . 0.0 110.391 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.82 -40.37 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.678 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -66.69 -45.54 78.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.763 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -67.15 -40.33 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.275 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 2.1 tp -65.04 -38.21 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.589 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.67 -41.02 96.98 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.159 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -62.45 -37.88 87.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.503 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.49 -38.66 92.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.196 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . 0.59 ' CG ' ' HZ1' ' B' ' 944' ' ' LYS . 98.2 mt-10 -60.92 -41.22 95.75 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.34 -44.07 95.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -69.9 -45.69 67.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 5.2 mm -63.39 -44.39 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.4 -40.84 92.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.211 -0.595 . . . . 0.0 110.146 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.46 -42.48 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.6 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.22 -39.63 95.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.379 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -59.0 -42.37 89.93 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.633 -0.427 . . . . 0.0 109.927 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -64.58 -41.82 96.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.094 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 97.1 mmm -63.3 -47.05 83.92 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.033 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -66.75 -46.54 75.06 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.675 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.69 -43.67 92.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.705 0.288 . . . . 0.0 111.076 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -64.24 -40.67 96.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.878 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.31 -43.48 94.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.851 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.78 -39.38 93.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 110.081 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.16 -40.47 96.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.474 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 39.1 t -63.06 -42.47 99.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.664 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.4 mt -63.31 -39.54 94.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -61.69 -46.42 89.77 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.79 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.29 -44.29 83.93 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.66 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.29 93.79 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.749 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 73.0 m -60.69 -39.54 88.86 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 29.3 mt -61.88 -42.44 99.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.46 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -61.82 -45.15 95.06 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.964 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -61.21 -40.36 93.69 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.075 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.35 -39.2 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.8 -41.55 95.86 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.874 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.1 -38.89 90.58 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.309 -0.557 . . . . 0.0 109.749 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -59.97 -39.12 84.57 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.264 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.53 -43.74 98.07 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.092 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.94 -46.03 86.54 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.072 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 83.8 t -66.65 -43.42 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.331 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -57.63 -48.18 80.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.02 -41.05 87.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.516 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.98 -41.53 99.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.763 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 5.1 tt -61.9 -43.83 98.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.363 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 931' ' ' SER . . . . . 0.527 ' O ' ' ND1' ' A' ' 935' ' ' HIS . 42.4 t -63.38 -44.58 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.788 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.88 -43.4 83.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.255 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 933' ' ' ASN . . . . . 0.524 ' ND2' ' OE2' ' A' ' 937' ' ' GLU . 47.4 t30 -63.19 -41.15 99.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.654 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 934' ' ' TYR . . . . . 0.497 ' CZ ' ' OD1' ' A' ' 938' ' ' ASN . 67.9 t80 -60.68 -43.43 97.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.441 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 935' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' A' ' 931' ' ' SER . 62.7 m80 -65.6 -44.35 86.83 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.587 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.13 -40.59 94.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 937' ' ' GLU . . . . . 0.524 ' OE2' ' ND2' ' A' ' 933' ' ' ASN . 92.0 mt-10 -63.04 -43.27 99.14 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 938' ' ' ASN . . . . . 0.497 ' OD1' ' CZ ' ' A' ' 934' ' ' TYR . 11.7 m120 -63.72 -42.13 97.96 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.367 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.49 -51.23 37.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.319 0.58 . . . . 0.0 111.21 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 64.7 t -66.86 -43.66 89.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.697 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.37 -36.84 76.52 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.79 -46.39 90.66 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 99.1 mt -69.26 -34.32 74.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.086 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . 0.588 ' HZ1' ' CG ' ' B' ' 895' ' ' GLU . 3.9 tppt? -57.15 -38.37 73.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.118 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.79 -33.3 71.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.098 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.57 -49.12 78.81 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.474 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.29 -42.74 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 166.36 108.3 0.21 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.764 -179.767 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 882' ' ' SER . . . . . 0.626 ' HG ' ' ND2' ' B' ' 885' ' ' ASN . 2.3 t 48.29 91.83 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.839 0.352 . . . . 0.0 110.516 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -83.56 -16.67 44.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.806 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -64.37 -19.09 65.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 885' ' ' ASN . . . . . 0.626 ' ND2' ' HG ' ' B' ' 882' ' ' SER . 91.9 m-20 -53.12 -28.54 26.24 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 886' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' B' ' 887' ' ' GLN . 24.1 pttm -61.5 -45.14 95.48 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.716 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 887' ' ' GLN . . . . . 0.446 ' N ' ' CG ' ' B' ' 886' ' ' LYS . 54.8 tt0 -68.16 -39.59 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.425 0.631 . . . . 0.0 110.4 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 56.2 t -70.74 -40.4 76.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.732 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -66.51 -45.53 79.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.727 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.22 -40.31 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.277 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 2.1 tp -64.95 -38.32 82.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.62 -41.09 96.98 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.197 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -62.53 -37.68 87.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.538 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.56 -38.61 91.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.294 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . 0.588 ' CG ' ' HZ1' ' A' ' 944' ' ' LYS . 98.1 mt-10 -60.91 -41.22 95.71 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.861 0.362 . . . . 0.0 110.147 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.39 -43.97 96.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.598 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -69.95 -45.73 66.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 5.3 mm -63.43 -44.3 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.47 -40.78 92.49 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.129 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.49 -42.48 98.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.519 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.23 -39.58 95.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.393 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -59.03 -42.58 90.53 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.703 -0.399 . . . . 0.0 109.941 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -64.61 -41.52 96.15 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.201 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.45 -46.99 83.71 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.003 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -66.76 -46.53 75.08 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.645 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -64.62 -43.81 92.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.734 0.302 . . . . 0.0 111.073 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -64.17 -40.71 96.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -64.36 -43.45 94.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.76 -39.6 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.436 . . . . 0.0 110.036 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 63.5 mt -63.97 -40.57 96.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.466 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 38.4 t -62.87 -42.6 99.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 0.0 110.755 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.27 -39.64 95.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.597 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 72.2 m -61.54 -46.41 90.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.28 -44.39 83.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.594 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.3 94.07 Favored 'General case' 0 CA--C 1.512 -0.502 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.767 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 74.1 m -60.63 -39.71 89.29 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.055 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.94 -42.25 98.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.515 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -61.96 -45.07 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.006 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -61.16 -40.47 93.97 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.994 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.36 -39.19 78.88 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -60.75 -41.61 95.78 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.986 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.92 -39.05 90.69 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.783 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -59.88 -39.05 83.99 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.216 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.57 -43.82 97.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.041 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.9 -46.1 86.35 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.065 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 83.6 t -66.64 -43.46 90.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.38 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -57.56 -48.23 79.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.04 -41.03 87.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.749 0.309 . . . . 0.0 110.472 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.0 -41.38 99.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.796 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.06 -43.81 98.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 931' ' ' SER . . . . . 0.529 ' O ' ' ND1' ' B' ' 935' ' ' HIS . 42.2 t -63.24 -44.64 94.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.82 -43.38 83.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 933' ' ' ASN . . . . . 0.512 ' ND2' ' OE2' ' B' ' 937' ' ' GLU . 47.6 t30 -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.683 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 934' ' ' TYR . . . . . 0.51 ' CZ ' ' OD1' ' B' ' 938' ' ' ASN . 68.5 t80 -60.5 -43.56 96.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 935' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' B' ' 931' ' ' SER . 62.8 m80 -65.6 -44.29 87.05 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.602 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.16 -40.49 94.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.52 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 937' ' ' GLU . . . . . 0.512 ' OE2' ' ND2' ' B' ' 933' ' ' ASN . 92.4 mt-10 -63.1 -43.33 98.78 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 938' ' ' ASN . . . . . 0.51 ' OD1' ' CZ ' ' B' ' 934' ' ' TYR . 11.6 m120 -63.7 -42.04 98.03 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.315 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.38 -51.34 37.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.523 0.678 . . . . 0.0 111.35 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 64.3 t -66.91 -43.59 89.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.68 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 941' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.44 -36.91 76.81 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.72 -46.4 90.55 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 99.1 mt -69.31 -34.43 74.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.017 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 944' ' ' LYS . . . . . 0.59 ' HZ1' ' CG ' ' A' ' 895' ' ' GLU . 3.8 tppt? -57.07 -38.27 73.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.19 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.8 -33.26 71.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.65 -49.05 79.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.434 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.25 -42.9 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.147 0.498 . . . . 0.0 110.462 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 166.49 108.23 0.21 Allowed Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.818 -179.87 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 89.7 mttt . . . . . 0 N--CA 1.444 -0.727 0 N-CA-C 110.521 -0.177 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -66.06 -46.77 76.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.957 0.408 . . . . 0.0 110.215 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.17 -44.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.938 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.1 -34.86 77.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 890' ' ' GLU . . . . . 0.434 ' HA ' ' HE ' ' A' ' 893' ' ' ARG . 84.3 tt0 -63.78 -48.96 74.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.601 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.23 -40.98 91.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.859 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 49.1 tp -56.14 -42.4 76.87 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.84 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 893' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' A' ' 890' ' ' GLU . 88.0 mtm180 -64.15 -41.24 97.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.987 0.423 . . . . 0.0 110.492 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.75 -41.41 98.02 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.673 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.38 -44.16 97.11 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.465 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.43 -46.59 82.53 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.241 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -68.28 -47.71 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.752 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 898' ' ' ILE . . . . . 0.469 HD11 HG11 ' B' ' 940' ' ' VAL . 26.4 mm -62.5 -43.0 97.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 899' ' ' GLU . . . . . 0.479 ' OE2' ' NH2' ' A' ' 903' ' ' ARG . 83.9 tt0 -56.33 -40.6 74.68 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.871 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.04 -46.47 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.68 -40.07 94.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.669 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -59.07 -44.76 91.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.305 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 903' ' ' ARG . . . . . 0.479 ' NH2' ' OE2' ' A' ' 899' ' ' GLU . 99.5 mtt180 -65.54 -37.48 86.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 89.2 mtp -60.97 -42.02 97.5 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.32 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -65.15 -45.51 84.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.894 0.378 . . . . 0.0 110.531 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.23 -40.42 90.25 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.989 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -61.31 -42.98 99.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.457 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -63.61 -42.53 98.22 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.836 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.08 -38.72 83.74 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.26 0.552 . . . . 0.0 110.07 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.41 -37.98 89.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.985 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 44.8 t -61.43 -41.39 97.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.325 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.95 -42.2 99.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.323 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 76.9 m -61.77 -45.87 92.03 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.12 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.66 -37.51 86.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.298 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.4 -46.1 89.62 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.733 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 39.6 t -62.07 -44.48 96.59 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.277 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 35.0 mt -61.42 -41.29 96.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.214 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -61.47 -39.33 90.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.481 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -60.82 -44.69 96.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.692 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.81 -38.62 86.0 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -60.09 -40.28 89.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.986 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.46 -38.54 91.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.757 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.09 -41.04 87.08 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.193 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -64.04 -45.23 89.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.8 -47.54 71.77 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 121.042 0.449 . . . . 0.0 110.653 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.28 -42.22 95.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.142 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -57.65 -49.14 77.44 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.362 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.01 -47.31 65.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.371 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.46 -40.44 97.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.348 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 930' ' ' LEU . . . . . 0.701 ' C ' HD23 ' A' ' 930' ' ' LEU . 7.0 tt -62.34 -44.02 97.46 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.95 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 48.8 m -63.3 -44.55 94.68 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.978 0.418 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.25 -41.34 90.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.41 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.82 -39.79 90.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.79 -43.16 99.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.631 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.31 -46.62 89.54 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.461 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.48 ' O ' HG22 ' A' ' 940' ' ' VAL . 10.9 mp -67.95 -35.74 78.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.764 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 937' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 84.4 tt0 -55.98 -42.02 75.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.04 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.93 -40.46 79.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.435 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.38 -52.55 61.23 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.279 -0.569 . . . . 0.0 111.186 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 940' ' ' VAL . . . . . 0.594 HG23 ' N ' ' A' ' 941' ' ' ALA . 19.5 m -67.67 -44.25 86.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.628 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 941' ' ' ALA . . . . . 0.594 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -56.02 -40.19 73.05 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.795 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -62.17 -45.53 93.01 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.919 -0.712 . . . . 0.0 109.857 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.38 -38.14 89.1 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.348 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 944' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 949' ' ' GLU . 2.4 mptm? -56.08 -37.08 68.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.72 -36.87 77.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.5 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 946' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 946' ' ' LEU . 9.5 mp -59.92 -45.85 91.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.132 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 57.4 t -71.52 -42.65 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.67 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 948' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 949' ' ' GLU . . . 154.39 40.9 0.02 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 949' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 948' ' ' GLY . 82.5 tt0 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.501 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.908 0.385 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -54.25 -28.99 45.2 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.828 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -62.47 -45.46 92.92 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.49 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -65.96 -46.5 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.273 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.61 -44.79 99.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.929 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.53 -34.9 78.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 890' ' ' GLU . . . . . 0.433 ' HA ' ' HE ' ' B' ' 893' ' ' ARG . 83.3 tt0 -63.6 -48.96 75.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.447 . . . . 0.0 110.555 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.13 -41.43 92.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.747 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.87 -42.3 75.67 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.894 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 893' ' ' ARG . . . . . 0.433 ' HE ' ' HA ' ' B' ' 890' ' ' GLU . 88.3 mtm180 -64.6 -41.16 96.41 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.506 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.63 -41.64 98.24 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.425 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.88 -44.47 96.74 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.529 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.54 -46.68 81.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.338 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -68.15 -47.71 67.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.799 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 898' ' ' ILE . . . . . 0.455 HD11 HG11 ' A' ' 940' ' ' VAL . 26.7 mm -62.27 -42.9 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 899' ' ' GLU . . . . . 0.471 ' OE2' ' NH2' ' B' ' 903' ' ' ARG . 84.0 tt0 -56.45 -40.73 75.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.896 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.04 -46.69 88.06 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.35 -40.37 95.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.826 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -59.04 -44.44 91.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.91 0.386 . . . . 0.0 110.263 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 903' ' ' ARG . . . . . 0.471 ' NH2' ' OE2' ' B' ' 899' ' ' GLU . 99.6 mtt180 -65.63 -37.23 86.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.451 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 88.9 mtp -60.95 -42.21 97.81 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.257 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -65.2 -45.49 84.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.965 0.412 . . . . 0.0 110.685 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.14 -40.58 90.7 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.105 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -61.24 -42.71 99.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.561 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -63.74 -42.44 97.87 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.776 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.17 -39.28 85.89 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.173 0.511 . . . . 0.0 110.043 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.11 -37.84 88.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.029 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 39.3 t -61.59 -41.31 97.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.277 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.9 -42.38 99.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.337 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 71.9 m -61.93 -45.43 93.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.153 0.501 . . . . 0.0 109.995 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.54 -37.47 86.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.052 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.16 89.9 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 42.1 t -62.01 -44.57 96.44 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.31 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.64 -40.79 96.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.197 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -62.03 -39.59 92.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.425 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -60.57 -44.3 96.33 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.775 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.75 -38.75 86.25 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.623 -0.431 . . . . 0.0 109.935 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.25 -40.51 90.58 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.231 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.52 -38.0 89.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.92 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -59.16 -41.07 87.49 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.252 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -63.99 -45.31 89.58 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.589 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.31 -47.61 72.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 121.043 0.449 . . . . 0.0 110.586 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.25 -42.21 95.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.119 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -57.61 -49.09 77.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.331 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -69.29 -47.4 64.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.711 0.291 . . . . 0.0 111.545 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.48 -40.35 96.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.23 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 930' ' ' LEU . . . . . 0.693 ' C ' HD23 ' B' ' 930' ' ' LEU . 7.1 tt -62.41 -43.91 97.69 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.896 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 53.1 m -63.44 -44.26 95.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.993 0.425 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.24 -41.44 90.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.278 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.72 -40.41 92.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.767 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.35 -42.68 99.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.55 -46.63 89.09 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.49 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 936' ' ' LEU . . . . . 0.466 ' O ' HG22 ' B' ' 940' ' ' VAL . 10.9 mp -68.31 -35.31 77.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.69 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 937' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 83.8 tt0 -55.73 -42.87 75.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.837 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.09 -40.44 82.63 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.361 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -63.68 -52.74 59.31 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.227 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 940' ' ' VAL . . . . . 0.57 HG23 ' N ' ' B' ' 941' ' ' ALA . 18.5 m -67.8 -43.68 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.565 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 941' ' ' ALA . . . . . 0.57 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -56.08 -40.72 74.05 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.839 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -62.04 -45.57 92.98 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.704 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.06 -38.83 92.1 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.492 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 944' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' B' ' 949' ' ' GLU . 2.4 mptm? -55.4 -37.36 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.68 -36.72 77.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.494 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 946' ' ' LEU . . . . . 0.558 HD12 ' N ' ' B' ' 946' ' ' LEU . 9.3 mp -60.07 -45.61 92.31 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.215 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.39 -42.64 73.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.59 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 154.11 41.3 0.02 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 949' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' B' ' 944' ' ' LYS . 84.1 tt0 . . . . . 0 C--O 1.217 -0.606 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.51 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 85.7 mttt . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 120.535 0.207 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.461 ' O ' HD13 ' A' ' 891' ' ' ILE . 88.3 mt-30 -64.95 -49.48 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.962 0.41 . . . . 0.0 109.947 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.74 -44.84 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.021 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -66.93 -35.54 80.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.756 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.46 -44.54 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.42 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 891' ' ' ILE . . . . . 0.461 HD13 ' O ' ' A' ' 887' ' ' GLN . 1.5 mp -62.51 -43.22 98.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.134 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 78.4 mt -59.54 -40.12 86.21 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.474 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.16 -38.42 91.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.047 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 894' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.4 mt -63.79 -38.77 92.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.606 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.22 -41.36 97.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 110.175 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.62 -45.0 63.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.147 0.498 . . . . 0.0 110.862 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -67.68 -48.73 65.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.306 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 898' ' ' ILE . . . . . 0.471 HG22 ' O ' ' A' ' 894' ' ' LEU . 10.1 tp -61.39 -41.81 91.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.12 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 899' ' ' GLU . . . . . 0.457 ' N ' HG23 ' A' ' 898' ' ' ILE . 82.3 tt0 -59.54 -38.6 81.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.911 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 900' ' ' ASP . . . . . 0.417 ' HA ' ' HE ' ' A' ' 903' ' ' ARG . 64.0 t0 -61.13 -43.77 98.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.233 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.03 -39.14 93.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.423 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -59.47 -46.67 88.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.77 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 903' ' ' ARG . . . . . 0.417 ' HE ' ' HA ' ' A' ' 900' ' ' ASP . 86.8 mtm180 -65.17 -38.54 90.86 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.29 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 91.9 mtp -62.23 -43.26 99.22 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.433 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -68.06 -46.63 70.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.839 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.57 -45.15 80.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.302 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.31 -40.96 96.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.605 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -64.61 -46.33 83.09 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.916 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.94 -38.42 82.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.936 0.398 . . . . 0.0 110.438 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.61 -40.44 95.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.947 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 67.0 m -61.63 -43.4 98.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.464 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 9.9 mp -64.38 -38.1 89.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 81.7 m -58.79 -48.74 80.21 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.226 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.63 -42.79 99.79 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.137 0.494 . . . . 0.0 110.459 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 915' ' ' ALA . . . . . 0.421 ' HB1' ' NZ ' ' B' ' 919' ' ' LYS . . . -64.11 -39.01 93.13 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.593 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.472 ' O ' HD13 ' A' ' 920' ' ' LEU . 71.0 m -59.45 -43.15 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.687 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.77 -41.65 97.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -57.91 -44.98 87.13 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.535 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 919' ' ' LYS . . . . . 0.415 ' NZ ' ' HB1' ' B' ' 915' ' ' ALA . 70.6 mmtt -60.44 -40.35 90.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.346 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 920' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 916' ' ' SER . 7.4 mp -58.23 -38.36 76.69 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.586 -0.445 . . . . 0.0 109.95 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.96 -42.0 98.63 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.048 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.72 -37.55 84.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.889 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.38 -38.26 88.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.082 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.35 -41.38 98.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.013 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.12 -48.93 76.42 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.709 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 88.1 t -65.3 -41.11 90.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.034 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -56.24 -48.67 76.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.886 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.309 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.36 -38.55 91.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.215 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 5.1 tt -61.5 -44.13 97.63 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.216 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 11.6 t -64.27 -43.99 93.09 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.748 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.82 -42.24 97.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.337 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -58.88 -40.68 85.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.059 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -62.15 -46.09 90.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -65.97 -45.22 82.5 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.905 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.463 ' O ' HG22 ' A' ' 940' ' ' VAL . 9.7 mp -65.73 -39.48 91.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.399 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 937' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 28.7 mm-40 -57.85 -44.06 86.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.52 -40.14 92.63 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.38 -53.08 40.07 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.566 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 940' ' ' VAL . . . . . 0.594 HG23 ' N ' ' A' ' 941' ' ' ALA . 15.3 m -67.33 -46.36 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.712 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 941' ' ' ALA . . . . . 0.594 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -56.4 -40.62 74.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.413 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.27 -44.9 95.48 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.422 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 943' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 943' ' ' LEU . 39.5 mt -67.04 -40.53 87.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.301 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.57 -37.91 85.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -53.52 -34.47 58.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.23 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.76 -50.13 74.72 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.242 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 76.6 t -73.82 -42.16 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . -172.64 -78.21 0.05 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.871 -1.061 . . . . 0.0 110.539 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -53.38 -29.1 32.87 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.956 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.19 -45.6 91.0 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 887' ' ' GLN . . . . . 0.468 ' O ' HD13 ' B' ' 891' ' ' ILE . 88.6 mt-30 -65.38 -48.85 71.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 109.988 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.1 -44.77 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 0.0 110.132 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.0 -35.58 80.27 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.719 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.58 -44.91 85.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 891' ' ' ILE . . . . . 0.468 HD13 ' O ' ' B' ' 887' ' ' GLN . 1.5 mp -61.81 -43.47 97.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.234 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.11 -40.96 87.02 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.481 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.41 -38.98 91.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.104 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 894' ' ' LEU . . . . . 0.467 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.3 mt -63.31 -39.05 93.5 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -63.91 -41.26 97.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.042 0.449 . . . . 0.0 110.167 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.64 -45.01 63.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.104 0.478 . . . . 0.0 110.923 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -67.78 -48.46 66.28 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.253 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 898' ' ' ILE . . . . . 0.467 HG22 ' O ' ' B' ' 894' ' ' LEU . 10.3 tp -61.48 -41.45 90.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 899' ' ' GLU . . . . . 0.442 ' N ' HG23 ' B' ' 898' ' ' ILE . 80.3 tt0 -59.86 -38.6 82.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.892 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 900' ' ' ASP . . . . . 0.416 ' HA ' ' HE ' ' B' ' 903' ' ' ARG . 65.2 t0 -61.11 -44.04 97.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.264 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.89 -39.09 93.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.467 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -59.55 -46.29 89.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.716 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 903' ' ' ARG . . . . . 0.416 ' HE ' ' HA ' ' B' ' 900' ' ' ASP . 87.0 mtm180 -65.63 -38.35 89.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.34 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 92.7 mtp -62.22 -43.05 99.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.922 0.391 . . . . 0.0 110.516 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -68.26 -46.83 69.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.761 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.44 -44.69 82.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.333 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.47 -41.57 97.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.711 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -64.47 -46.0 84.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.828 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.76 -39.32 84.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.986 0.422 . . . . 0.0 110.466 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 68.7 mt -64.31 -40.0 95.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.871 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 68.7 m -61.55 -43.38 98.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.626 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.9 -38.02 89.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 75.1 m -58.78 -48.3 81.72 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.228 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -63.1 -42.0 99.5 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.109 0.48 . . . . 0.0 110.43 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 915' ' ' ALA . . . . . 0.415 ' HB1' ' NZ ' ' A' ' 919' ' ' LYS . . . -64.67 -39.49 93.77 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.626 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 916' ' ' SER . . . . . 0.448 ' O ' HD13 ' B' ' 920' ' ' LEU . 66.8 m -59.19 -43.63 92.21 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.665 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.24 -41.76 97.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -57.83 -45.12 86.65 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.574 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 919' ' ' LYS . . . . . 0.421 ' NZ ' ' HB1' ' A' ' 915' ' ' ALA . 70.4 mmtt -60.12 -40.57 90.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.358 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 920' ' ' LEU . . . . . 0.448 HD13 ' O ' ' B' ' 916' ' ' SER . 7.4 mp -58.06 -38.58 76.58 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.82 -41.77 98.2 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.016 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.01 -37.05 83.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.827 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.92 -38.47 91.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.07 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.01 -41.3 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.119 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.18 -48.87 76.53 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.612 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 91.9 t -65.4 -41.24 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.146 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -56.11 -47.96 77.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.4 -46.5 89.89 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.2 -38.56 89.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.972 0.415 . . . . 0.0 109.983 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.49 -44.36 97.23 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.33 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 11.1 t -63.9 -44.07 94.07 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.728 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.88 -42.41 97.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.417 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -58.93 -40.27 84.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.979 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -62.5 -46.12 89.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.837 0.351 . . . . 0.0 110.452 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -65.93 -45.43 81.91 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.801 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 936' ' ' LEU . . . . . 0.444 ' O ' HG22 ' B' ' 940' ' ' VAL . 9.6 mp -65.35 -40.13 93.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.472 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 937' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 28.4 mm-40 -57.19 -44.18 83.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.361 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.28 -40.58 94.06 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.902 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.91 -53.13 43.49 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.643 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 940' ' ' VAL . . . . . 0.589 HG23 ' N ' ' B' ' 941' ' ' ALA . 15.5 m -67.34 -46.18 84.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.767 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 941' ' ' ALA . . . . . 0.589 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -56.4 -40.99 75.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.323 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -62.0 -45.3 94.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.007 0.432 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 943' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' B' ' 943' ' ' LEU . 38.7 mt -66.84 -40.7 88.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.252 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -61.33 -37.68 84.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.526 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -53.67 -34.61 59.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.34 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.81 -50.89 71.62 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.198 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 78.5 t -72.75 -42.32 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 110.347 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . -172.14 -77.73 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.47 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt . . . . . 0 N--CA 1.447 -0.615 0 CA-C-O 120.449 0.166 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.04 -43.56 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.408 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.73 -44.41 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.348 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.69 -41.55 87.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.02 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -63.56 -45.53 90.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.557 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.23 -40.19 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 892' ' ' LEU . . . . . 0.656 HD11 ' NZ ' ' A' ' 896' ' ' LYS . 50.1 tp -59.17 -42.67 91.34 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.201 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.14 -39.33 93.8 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.175 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 894' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.2 mt -63.09 -39.31 94.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.985 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.32 -41.69 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.129 0.49 . . . . 0.0 110.225 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 896' ' ' LYS . . . . . 0.656 ' NZ ' HD11 ' A' ' 892' ' ' LEU . 61.6 mttp -69.77 -44.61 69.81 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.749 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -68.51 -49.95 55.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.795 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 898' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 894' ' ' LEU . 9.8 tp -60.65 -41.97 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 899' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 898' ' ' ILE . 90.1 mt-10 -62.22 -38.3 88.63 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.53 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -61.56 -41.23 97.08 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.072 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.4 -41.78 88.8 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 902' ' ' GLN . . . . . 0.424 ' CG ' HD21 ' B' ' 933' ' ' ASN . 88.2 mt-30 -63.69 -39.29 93.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.51 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -63.21 -42.03 99.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.699 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 62.5 mtt -64.52 -41.96 96.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.516 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 905' ' ' LYS . . . . . 0.495 ' NZ ' ' OE2' ' A' ' 909' ' ' GLU . 13.6 tttp -62.36 -46.44 88.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.246 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.62 -44.95 88.9 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.786 -0.365 . . . . 0.0 111.01 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -65.74 -39.94 91.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.219 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -63.18 -45.62 90.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.173 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.495 ' OE2' ' NZ ' ' A' ' 905' ' ' LYS . 98.2 mt-10 -65.52 -41.23 93.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.103 0.477 . . . . 0.0 110.268 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.55 -40.5 95.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.501 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 11.2 t -62.91 -42.32 99.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.059 0.457 . . . . 0.0 110.59 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.36 -39.54 94.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.601 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 71.8 m -61.42 -47.98 83.29 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.102 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.42 -43.87 84.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 915' ' ' ALA . . . . . 0.446 ' HB1' ' NZ ' ' B' ' 919' ' ' LYS . . . -64.7 -40.82 96.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.935 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 11.5 t -60.41 -40.68 91.87 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.327 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 917' ' ' LEU . 32.3 mt -60.9 -41.8 96.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.184 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -60.27 -39.04 85.43 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.061 -0.655 . . . . 0.0 110.351 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 919' ' ' LYS . . . . . 0.456 ' NZ ' ' HB1' ' B' ' 915' ' ' ALA . 70.4 mmtt -62.43 -42.05 99.17 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.588 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.76 -39.39 84.67 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.9 -40.63 93.82 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.08 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.79 -39.13 93.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.085 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -59.62 -39.66 84.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.57 -43.86 97.76 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.068 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -64.21 -47.26 80.4 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 82.6 t -65.19 -43.99 95.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.461 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -57.92 -48.86 78.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.756 0.312 . . . . 0.0 110.585 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.11 -39.81 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.24 -41.75 98.71 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.75 -44.35 97.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.388 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 62.7 m -61.97 -43.54 98.63 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.97 -39.45 93.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.505 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 933' ' ' ASN . . . . . 0.406 HD21 ' CG ' ' B' ' 902' ' ' GLN . 20.0 t-20 -60.38 -41.62 94.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.189 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -63.52 -44.22 94.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.731 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -61.53 -45.8 92.63 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.431 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.432 ' O ' HG22 ' A' ' 940' ' ' VAL . 90.4 mt -67.89 -36.51 80.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.144 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -56.66 -43.06 79.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -68.38 -40.69 81.31 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.724 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -63.17 -52.1 63.75 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.283 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 940' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 941' ' ' ALA . 16.2 m -67.97 -40.72 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.403 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 941' ' ' ALA . . . . . 0.491 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -61.28 -40.2 93.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.317 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.63 -46.2 89.34 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.489 -0.485 . . . . 0.0 109.968 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.23 -37.13 83.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.94 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.95 -38.32 64.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.072 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.13 -35.39 73.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.66 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.57 -46.52 89.92 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.037 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 75.3 t -72.0 -42.58 68.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.354 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.31 49.54 0.02 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.636 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.92 0.39 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -56.17 -29.53 60.94 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.051 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -62.5 -45.45 92.94 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.898 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -67.37 -43.38 81.58 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.516 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.59 -44.53 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.19 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.69 -41.66 87.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.182 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -63.34 -45.75 89.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.542 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.25 -40.22 88.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.865 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 892' ' ' LEU . . . . . 0.656 HD11 ' NZ ' ' B' ' 896' ' ' LYS . 52.1 tp -59.0 -42.68 90.65 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.913 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -64.07 -39.74 94.72 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.254 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 894' ' ' LEU . . . . . 0.479 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.3 mt -63.07 -39.77 95.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.796 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.68 -41.39 92.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.502 . . . . 0.0 110.058 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 896' ' ' LYS . . . . . 0.656 ' NZ ' HD11 ' B' ' 892' ' ' LEU . 61.7 mttp -69.86 -44.86 68.98 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.808 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.7 -49.59 57.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.852 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 898' ' ' ILE . . . . . 0.479 HG22 ' O ' ' B' ' 894' ' ' LEU . 9.8 tp -60.79 -42.01 90.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 899' ' ' GLU . . . . . 0.462 ' N ' HG23 ' B' ' 898' ' ' ILE . 89.2 mt-10 -62.21 -38.41 89.05 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.5 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -61.58 -41.23 97.12 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.186 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.4 mp -66.47 -41.66 88.68 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 902' ' ' GLN . . . . . 0.406 ' CG ' HD21 ' A' ' 933' ' ' ASN . 88.6 mt-30 -63.77 -39.4 94.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.422 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 42.8 mmm-85 -63.03 -42.28 99.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.91 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 62.7 mtt -64.31 -42.24 96.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.406 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 905' ' ' LYS . . . . . 0.483 ' NZ ' ' OE2' ' B' ' 909' ' ' GLU . 13.7 tttp -61.64 -46.51 89.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.167 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.59 -45.26 87.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.764 0.316 . . . . 0.0 111.11 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -65.73 -40.11 91.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -63.13 -45.54 91.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.142 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 909' ' ' GLU . . . . . 0.483 ' OE2' ' NZ ' ' B' ' 905' ' ' LYS . 97.3 mt-10 -65.79 -40.84 92.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.893 0.377 . . . . 0.0 110.251 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.84 -40.4 95.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.521 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 11.0 t -62.67 -42.21 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 0.0 110.507 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.9 mt -63.58 -39.77 95.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.656 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 73.8 m -61.48 -47.81 83.95 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.053 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.18 -44.01 85.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.64 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 915' ' ' ALA . . . . . 0.456 ' HB1' ' NZ ' ' A' ' 919' ' ' LYS . . . -64.8 -40.72 95.69 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.973 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 11.4 t -60.57 -40.55 92.08 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.053 0.454 . . . . 0.0 110.271 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.0 -41.96 97.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.21 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -60.08 -38.9 84.25 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.302 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 919' ' ' LYS . . . . . 0.446 ' NZ ' ' HB1' ' A' ' 915' ' ' ALA . 70.9 mmtt -62.68 -42.21 99.5 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.664 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.61 -39.39 84.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.8 -41.22 95.2 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.105 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.28 -39.66 93.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.04 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -58.82 -39.74 82.08 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.83 -43.88 97.61 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.167 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -63.98 -47.42 80.45 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.77 -44.17 96.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.434 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -58.08 -48.85 78.9 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.632 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.12 -39.87 86.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.416 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.37 -41.55 98.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 930' ' ' LEU . . . . . 0.409 HD12 ' NZ ' ' A' ' 905' ' ' LYS . 6.4 tt -62.05 -44.13 97.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.303 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 58.8 m -61.91 -43.63 98.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.81 -39.43 93.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.561 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 933' ' ' ASN . . . . . 0.424 HD21 ' CG ' ' A' ' 902' ' ' GLN . 20.5 t-20 -60.39 -41.67 94.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.207 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -63.47 -44.33 94.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.651 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -61.15 -45.71 93.5 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.398 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 936' ' ' LEU . . . . . 0.444 ' O ' HG22 ' B' ' 940' ' ' VAL . 93.7 mt -68.07 -36.58 80.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.218 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 937' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -56.75 -42.91 80.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.358 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -68.39 -41.14 80.92 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.602 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -62.74 -52.2 64.17 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.392 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 940' ' ' VAL . . . . . 0.471 HG23 ' N ' ' B' ' 941' ' ' ALA . 16.0 m -67.82 -40.62 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.407 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 941' ' ' ALA . . . . . 0.471 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -61.48 -40.3 94.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.19 -46.32 89.43 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.104 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.5 -37.0 82.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.042 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.94 -38.4 64.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.916 0.388 . . . . 0.0 109.972 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.11 -35.46 73.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.685 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.24 -46.58 89.28 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.046 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.13 -42.69 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.443 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.32 49.22 0.02 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.655 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 56.2 mttm . . . . . 0 N--CA 1.444 -0.766 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -65.31 -49.41 69.58 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.09 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.72 -44.77 97.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.069 0.462 . . . . 0.0 110.091 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -66.06 -34.59 78.43 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.866 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.52 -46.44 82.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.508 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.44 -44.11 97.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.336 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 80.3 mt -56.95 -40.0 75.61 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.972 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.74 -38.91 92.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.266 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 894' ' ' LEU . . . . . 0.482 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.2 mt -64.37 -39.31 93.61 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.14 -41.49 94.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 109.947 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.51 -43.94 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.015 0.436 . . . . 0.0 110.806 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -68.56 -48.15 64.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.273 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 898' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 894' ' ' LEU . 10.4 tp -62.94 -41.83 94.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.033 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 899' ' ' GLU . . . . . 0.511 ' OE2' ' NH2' ' A' ' 903' ' ' ARG . 81.2 tt0 -60.41 -39.79 88.65 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.047 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.82 -44.32 97.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.46 -40.94 98.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -59.37 -39.36 83.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.174 0.511 . . . . 0.0 110.366 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 903' ' ' ARG . . . . . 0.511 ' NH2' ' OE2' ' A' ' 899' ' ' GLU . 99.3 mtt180 -73.45 -35.2 65.71 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.62 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 68.6 mmm -61.35 -47.43 85.92 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.1 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 905' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 906' ' ' GLU . 51.1 pttt -69.76 -42.88 73.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.819 0.342 . . . . 0.0 110.673 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 906' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 905' ' ' LYS . 94.9 mt-10 -65.41 -40.3 93.22 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.949 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -69.29 -38.2 78.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.634 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.39 -47.26 82.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.432 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.43 -36.83 82.0 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.334 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.14 -43.06 99.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.409 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 35.9 t -64.29 -41.98 96.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.504 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.01 -40.01 96.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.413 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 79.4 m -59.68 -48.02 83.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.73 -38.34 90.75 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.014 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.54 94.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 47.8 t -60.12 -43.05 95.91 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.851 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.06 -40.73 96.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.55 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -60.48 -42.44 96.28 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 919' ' ' LYS . . . . . 0.552 ' NZ ' ' NZ ' ' B' ' 919' ' ' LYS . 43.4 mmtm -60.8 -41.93 96.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.608 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.14 -38.78 80.51 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.072 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.84 -41.52 95.99 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.256 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.4 -39.13 92.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.045 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.8 -41.18 86.15 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.054 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.73 -42.61 99.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.087 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.06 -47.04 81.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.546 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.43 -44.1 98.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.25 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -56.31 -48.08 77.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.38 -37.86 88.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.126 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.92 -42.09 99.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.088 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.32 -42.62 99.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.586 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 67.6 m -59.14 -43.31 92.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.446 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -65.13 -41.83 94.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.248 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -60.78 -42.15 96.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.233 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -59.97 -44.73 94.28 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.921 0.391 . . . . 0.0 110.325 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -60.61 -44.63 96.07 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.712 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.516 ' O ' HG22 ' A' ' 940' ' ' VAL . 9.2 mp -64.6 -39.32 93.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.384 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 937' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 84.0 mt-10 -55.95 -42.63 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.23 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -66.62 -41.55 88.19 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.481 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.58 -52.76 55.87 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.284 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 940' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 936' ' ' LEU . 18.3 m -66.58 -40.76 87.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.293 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 941' ' ' ALA . . . . . 0.482 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -57.17 -41.11 78.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.108 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.15 -45.67 93.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.508 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.5 -42.25 95.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.048 0.452 . . . . 0.0 110.82 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 944' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 949' ' ' GLU . 51.7 mtmt -63.93 -39.71 94.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -59.54 -39.12 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.409 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.5 -44.62 95.92 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.606 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.24 -42.38 74.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.534 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.42 43.5 0.03 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 949' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 944' ' ' LYS . 97.1 mt-10 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.623 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.961 0.41 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.27 -29.51 47.27 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -61.92 -45.22 94.65 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.376 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -65.48 -48.93 70.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.89 0.376 . . . . 0.0 110.241 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 91.8 t -60.65 -44.84 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.248 0.547 . . . . 0.0 110.004 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.89 -34.92 79.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.775 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.43 -46.14 84.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.626 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.05 -43.71 98.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.221 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 79.9 mt -56.8 -40.22 75.56 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.833 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.81 -38.55 91.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 894' ' ' LEU . . . . . 0.48 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.3 mt -65.05 -38.71 91.7 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.694 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.44 -41.43 93.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.166 0.507 . . . . 0.0 109.807 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -71.2 -44.59 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.107 0.479 . . . . 0.0 110.768 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.29 -48.01 66.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.414 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 898' ' ' ILE . . . . . 0.48 HG22 ' O ' ' B' ' 894' ' ' LEU . 10.6 tp -63.11 -41.86 94.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.02 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 899' ' ' GLU . . . . . 0.492 ' OE2' ' NH2' ' B' ' 903' ' ' ARG . 79.8 tt0 -60.05 -40.38 89.22 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.156 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.45 -43.95 97.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.456 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.79 -40.97 97.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -59.36 -39.12 82.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.115 0.483 . . . . 0.0 110.364 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 903' ' ' ARG . . . . . 0.492 ' NH2' ' OE2' ' B' ' 899' ' ' GLU . 99.3 mtt180 -73.69 -35.24 65.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.684 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 69.0 mmm -61.31 -47.22 86.93 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.101 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 905' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' B' ' 906' ' ' GLU . 51.5 pttt -69.74 -43.23 72.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.86 0.362 . . . . 0.0 110.643 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 906' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' B' ' 905' ' ' LYS . 95.2 mt-10 -64.84 -40.36 95.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.008 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -69.36 -38.11 77.94 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -63.71 -47.11 82.46 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.391 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.35 -36.76 82.07 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 26.4 mt -63.18 -43.2 98.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 38.7 t -64.36 -41.67 96.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.503 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.1 -39.96 96.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 74.7 m -59.88 -47.32 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.757 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.3 -38.07 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.115 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.59 93.39 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 25.4 t -60.1 -43.17 95.76 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.59 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -40.41 95.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -60.82 -43.17 98.56 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.652 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 919' ' ' LYS . . . . . 0.552 ' NZ ' ' NZ ' ' A' ' 919' ' ' LYS . 43.4 mmtm -60.16 -42.29 94.63 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.632 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.71 -38.77 79.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.973 0.416 . . . . 0.0 110.085 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -61.04 -41.19 96.11 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.203 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.38 -39.22 92.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.023 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.9 -41.49 87.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.184 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.58 -42.51 98.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.135 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.12 -46.38 84.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.591 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.12 -43.95 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.187 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -56.31 -47.59 78.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.97 -38.1 87.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.282 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.64 -42.16 99.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.004 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.37 -42.91 99.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.741 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 71.1 m -58.85 -43.15 90.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.38 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -65.22 -41.8 94.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.349 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -61.07 -41.69 97.1 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.28 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -59.98 -45.24 93.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.833 0.349 . . . . 0.0 110.297 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -60.25 -44.48 95.23 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.724 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 936' ' ' LEU . . . . . 0.523 ' O ' HG22 ' B' ' 940' ' ' VAL . 9.2 mp -64.92 -38.89 92.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.461 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 937' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 83.0 mt-10 -56.08 -42.78 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.244 0.34 . . . . 0.0 110.244 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.57 -41.5 88.51 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.299 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.5 -52.97 55.12 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.285 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 940' ' ' VAL . . . . . 0.523 HG22 ' O ' ' B' ' 936' ' ' LEU . 19.3 m -66.44 -40.86 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.85 0.357 . . . . 0.0 110.407 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 941' ' ' ALA . . . . . 0.488 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -57.16 -41.05 78.49 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.07 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -60.96 -45.87 93.01 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.333 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.66 -42.77 95.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 944' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' B' ' 949' ' ' GLU . 51.3 mtmt -63.42 -39.51 94.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -59.68 -39.48 84.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.45 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.21 -44.36 96.74 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.606 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 77.9 t -71.42 -42.44 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.561 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.53 43.41 0.03 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 949' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 944' ' ' LYS . 96.2 mt-10 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.579 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt . . . . . 0 N--CA 1.45 -0.475 0 CA-C-O 120.661 0.267 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.9 -47.67 76.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.898 0.38 . . . . 0.0 110.224 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.62 -43.99 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.987 0.423 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -66.58 -37.19 84.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.177 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -63.79 -48.64 76.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.061 0.458 . . . . 0.0 110.61 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.07 -41.14 90.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.937 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 892' ' ' LEU . . . . . 0.516 ' O ' HD13 ' A' ' 892' ' ' LEU . 0.2 OUTLIER -56.53 -42.22 78.09 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.76 -177.865 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -62.89 -39.54 94.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.774 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 894' ' ' LEU . . . . . 0.461 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.4 mt -63.49 -38.56 91.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.485 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.21 -40.32 93.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.079 0.466 . . . . 0.0 110.069 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.55 -44.78 70.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.293 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.6 -49.46 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.537 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 898' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 894' ' ' LEU . 11.0 tp -62.11 -40.97 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.033 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 899' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 898' ' ' ILE . 82.2 tt0 -60.66 -39.9 90.1 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.144 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.77 -42.81 99.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.372 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.79 -40.94 98.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.358 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -59.95 -40.95 90.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.377 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.33 -37.02 86.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 86.9 mmm -62.02 -43.13 99.48 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.223 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -62.71 -47.54 83.16 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.644 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -66.8 -37.77 85.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -42.4 98.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.535 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -65.55 -43.5 89.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.425 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.98 -39.65 86.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.439 . . . . 0.0 110.255 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.76 -40.39 96.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.011 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 41.0 m -62.96 -38.19 90.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.052 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.01 -41.81 99.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.415 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 65.4 m -61.74 -44.55 96.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.09 -38.07 89.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.329 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.41 93.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.515 ' HA ' ' HZ2' ' B' ' 919' ' ' LYS . 36.7 t -61.71 -42.79 99.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.215 0.531 . . . . 0.0 110.415 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.1 -39.72 91.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.206 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -61.75 -40.31 94.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 919' ' ' LYS . . . . . 0.4 ' HZ2' ' HA ' ' B' ' 916' ' ' SER . 54.0 mtpt -59.69 -44.65 93.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.519 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.3 -38.94 85.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.931 0.396 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -60.09 -40.85 91.0 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.344 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.09 -39.44 94.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.039 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -58.7 -41.82 87.15 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.251 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -62.83 -44.49 96.01 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -67.2 -48.74 66.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.992 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.53 -40.98 91.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.15 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.32 -48.56 80.14 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.005 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.44 -47.38 70.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.799 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 933' ' ' ASN . 9.1 mp -62.66 -37.82 87.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.16 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.95 -43.92 97.83 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.271 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 10.9 t -63.07 -44.62 95.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.708 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.17 -41.21 90.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.493 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 933' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 929' ' ' LEU . 7.9 m-20 -61.94 -41.75 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.024 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -61.39 -44.73 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.395 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -65.75 -44.28 86.37 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.456 -0.497 . . . . 0.0 110.849 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.11 -40.73 94.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.466 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 937' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 78.7 mt-10 -58.66 -43.05 89.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.59 -40.87 96.3 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.721 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.83 -50.88 46.36 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.168 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.59 -45.96 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.487 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 941' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -57.62 -41.59 81.62 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.097 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -60.99 -43.07 99.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.241 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 48.2 tp -65.51 -43.58 89.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.7 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.08 -39.01 93.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.011 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.4 -35.92 68.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.68 -43.63 98.49 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.585 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 68.4 t -70.88 -42.5 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.369 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 157.33 21.7 0.03 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.5 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.943 0.401 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -55.83 -30.54 61.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.779 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -62.44 -45.05 94.81 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.858 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -65.17 -47.36 77.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.955 0.407 . . . . 0.0 110.199 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.05 -43.65 97.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.711 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -67.12 -37.87 84.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.2 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.08 -48.82 76.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.089 0.471 . . . . 0.0 110.485 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.92 -41.33 90.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.901 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 892' ' ' LEU . . . . . 0.525 HD13 ' O ' ' B' ' 892' ' ' LEU . 0.2 OUTLIER -56.22 -42.06 76.65 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.767 -177.852 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -63.05 -40.2 97.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.753 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 894' ' ' LEU . . . . . 0.456 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.6 mt -62.98 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.354 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.59 -40.02 93.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.04 0.448 . . . . 0.0 110.016 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -70.06 -44.12 69.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.962 0.411 . . . . 0.0 111.292 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.42 -49.58 53.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.432 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 898' ' ' ILE . . . . . 0.46 HG23 ' N ' ' B' ' 899' ' ' GLU . 11.0 tp -61.39 -41.36 89.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.998 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 899' ' ' GLU . . . . . 0.46 ' N ' HG23 ' B' ' 898' ' ' ILE . 82.4 tt0 -60.39 -40.07 89.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.266 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.89 -42.46 99.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.74 -40.85 98.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.221 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.1 -41.26 92.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.537 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 903' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' B' ' 907' ' ' ARG . 98.0 mtt180 -63.97 -36.72 84.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.551 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 86.8 mmm -62.29 -43.07 99.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.412 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -62.92 -47.13 84.57 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.597 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.95 -37.82 84.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.654 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 907' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 1.0 OUTLIER -61.08 -42.94 99.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.534 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -65.37 -42.87 92.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.411 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.2 -39.8 87.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.173 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 63.5 mt -63.7 -40.42 96.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.057 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 37.8 m -63.07 -37.93 89.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.44 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.19 -41.4 99.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.338 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 72.4 m -62.02 -44.86 95.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.61 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.91 -38.78 92.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.381 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.19 93.46 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.58 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 916' ' ' SER . . . . . 0.4 ' HA ' ' HZ2' ' A' ' 919' ' ' LYS . 39.9 t -61.44 -43.09 99.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.215 0.531 . . . . 0.0 110.453 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 27.7 mt -61.23 -39.51 90.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.282 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -61.89 -39.53 92.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 919' ' ' LYS . . . . . 0.515 ' HZ2' ' HA ' ' A' ' 916' ' ' SER . 54.7 mtpt -60.19 -44.76 94.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.401 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.25 -38.4 83.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.921 0.391 . . . . 0.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.38 -40.67 91.69 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.449 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.45 -38.49 91.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.904 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -59.35 -42.43 91.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.171 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -62.58 -44.63 95.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -66.85 -49.1 66.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.048 0.452 . . . . 0.0 111.075 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.35 -41.1 91.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.192 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.97 -48.58 79.56 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.969 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.47 -47.54 69.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.86 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 929' ' ' LEU . . . . . 0.43 ' O ' ' OD1' ' B' ' 933' ' ' ASN . 9.2 mp -62.44 -37.9 87.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.142 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.02 -43.77 98.13 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.193 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 11.2 t -63.44 -44.57 94.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.09 -40.96 91.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.412 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 933' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' B' ' 929' ' ' LEU . 8.1 m-20 -62.22 -42.01 98.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.048 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.29 -44.43 97.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -65.92 -44.3 85.54 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.944 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 69.8 mt -65.21 -40.49 94.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.404 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 937' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 81.7 mt-10 -58.71 -43.29 90.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.36 -41.01 96.94 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.588 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.17 -51.04 50.26 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.261 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.58 -46.47 86.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 941' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -57.29 -41.48 79.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.055 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -61.06 -42.6 98.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.04 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 47.3 tp -66.07 -43.55 87.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -64.04 -38.51 91.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.011 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -57.07 -35.67 69.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.469 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.04 -43.8 98.06 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.469 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.81 -42.55 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.533 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 157.5 22.07 0.03 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.568 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 55.9 mttm . . . . . 0 N--CA 1.442 -0.828 0 CA-C-O 120.529 0.204 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.485 ' O ' HD13 ' A' ' 891' ' ' ILE . 49.2 mt-30 -66.13 -46.74 76.44 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.505 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 83.8 t -62.9 -46.41 96.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.24 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.74 -40.25 88.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.069 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.15 -42.18 89.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.795 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 891' ' ' ILE . . . . . 0.485 HD13 ' O ' ' A' ' 887' ' ' GLN . 1.3 mp -62.43 -42.16 94.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.4 -41.48 93.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.13 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.25 -38.56 91.63 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.091 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.07 -40.33 96.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.9 -41.14 95.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.79 -42.91 97.65 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.559 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.2 -47.97 63.36 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 29.7 mm -63.95 -43.78 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.77 -39.17 87.81 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.122 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.64 -43.63 98.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.468 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.396 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -57.89 -46.44 84.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.85 0.357 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.19 -37.69 84.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.99 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 84.2 mmm -61.77 -44.87 96.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.967 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 905' ' ' LYS . . . . . 0.408 ' HZ3' ' HB3' ' B' ' 933' ' ' ASN . 52.4 mtmt -65.41 -45.25 84.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.796 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 906' ' ' GLU . . . . . 0.538 ' O ' HD13 ' A' ' 910' ' ' LEU . 80.8 mm-40 -66.7 -45.82 77.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.023 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.04 -38.21 85.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -63.89 -43.83 94.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.874 0.369 . . . . 0.0 110.496 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.471 ' OE2' HG11 ' B' ' 926' ' ' VAL . 77.8 mm-40 -62.91 -38.41 90.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.275 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 910' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 906' ' ' GLU . 8.4 mp -63.8 -41.24 97.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.268 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 10.3 t -62.39 -40.43 96.46 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.635 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.86 -40.66 98.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.019 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -61.71 -45.78 92.48 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.025 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 914' ' ' GLU . . . . . 0.487 ' OE2' ' O ' ' A' ' 910' ' ' LEU . 1.1 mp0 -65.94 -45.01 83.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.55 -41.21 96.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.704 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.415 ' O ' HD13 ' A' ' 920' ' ' LEU . 50.3 m -60.58 -39.23 87.28 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.203 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.78 -42.31 98.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.072 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -58.66 -42.72 89.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.622 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -61.07 -41.88 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.585 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 920' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 916' ' ' SER . 7.9 mp -60.11 -38.63 83.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -60.77 -40.95 94.45 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.102 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.05 -38.32 90.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.51 -41.74 90.63 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.251 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.69 -41.8 99.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.217 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -62.39 -47.24 85.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.466 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 926' ' ' VAL . . . . . 0.465 HG11 ' OE2' ' B' ' 909' ' ' GLU . 97.7 t -65.44 -44.54 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.096 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.73 -48.61 81.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.232 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.89 -42.72 94.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.975 0.417 . . . . 0.0 110.636 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.463 ' O ' ' ND2' ' A' ' 933' ' ' ASN . 38.5 mt -63.54 -39.23 93.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.575 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.63 -42.15 98.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.215 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 14.9 p -61.55 -44.59 96.76 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.058 0.456 . . . . 0.0 110.968 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.35 -42.95 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 933' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 929' ' ' LEU . 62.8 m-80 -60.7 -39.96 90.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.838 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.91 -40.92 90.47 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.08 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 935' ' ' HIS . . . . . 0.521 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 80.1 t60 -59.94 -46.01 90.78 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.164 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 936' ' ' LEU . 4.1 mm? -69.3 -34.36 74.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.244 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 937' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 80.2 tt0 -61.1 -45.0 96.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.582 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -66.26 -42.09 88.99 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.272 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 939' ' ' GLU . . . . . 0.521 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 99.0 mt-10 -66.82 -51.11 59.46 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.239 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 940' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 936' ' ' LEU . 68.0 t -66.51 -45.53 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.617 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 941' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -58.22 -37.25 74.47 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.38 -44.72 96.68 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.499 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 943' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 943' ' ' LEU . 30.9 mt -66.15 -40.44 90.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.069 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -60.45 -37.94 82.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.724 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -53.29 -32.92 51.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.388 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 54.4 mt -60.78 -49.1 78.84 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.179 -0.609 . . . . 0.0 110.162 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 75.6 t -74.26 -42.38 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.035 0.445 . . . . 0.0 110.435 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . -176.67 -71.04 0.06 OUTLIER Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.601 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.953 0.406 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -55.37 -29.19 57.95 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.671 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -62.39 -45.23 94.06 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.621 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 887' ' ' GLN . . . . . 0.51 ' O ' HD13 ' B' ' 891' ' ' ILE . 49.9 mt-30 -66.5 -46.14 77.25 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.482 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.19 -46.37 96.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.215 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.95 -40.47 87.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.05 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.19 -41.97 89.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.853 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 891' ' ' ILE . . . . . 0.51 HD13 ' O ' ' B' ' 887' ' ' GLN . 1.3 mp -62.45 -42.25 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 66.7 mt -60.48 -41.6 94.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.229 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.23 -38.22 90.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.103 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.31 -39.98 95.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.17 -41.33 96.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.853 0.358 . . . . 0.0 110.064 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.7 -42.93 97.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.619 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.24 -47.81 63.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.179 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 29.7 mm -64.01 -43.71 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.9 -39.26 88.66 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.12 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.67 -43.57 98.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.4 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.26 -40.41 97.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.416 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -57.87 -46.44 84.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.944 0.402 . . . . 0.0 110.546 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.7 -38.18 86.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.069 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.59 -44.82 96.3 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.929 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -65.47 -45.28 84.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 906' ' ' GLU . . . . . 0.544 ' O ' HD13 ' B' ' 910' ' ' LEU . 80.7 mm-40 -66.72 -45.75 77.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.066 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -60.91 -38.21 84.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.511 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -64.22 -43.32 95.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.344 . . . . 0.0 110.535 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 909' ' ' GLU . . . . . 0.465 ' OE2' HG11 ' A' ' 926' ' ' VAL . 78.0 mm-40 -63.02 -38.53 91.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.281 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 910' ' ' LEU . . . . . 0.544 HD13 ' O ' ' B' ' 906' ' ' GLU . 8.5 mp -63.9 -41.17 97.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.229 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 9.3 t -62.24 -40.54 96.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.636 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.8 -40.84 98.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.104 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 77.4 m -61.68 -45.83 92.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.029 0.442 . . . . 0.0 110.172 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 914' ' ' GLU . . . . . 0.486 ' OE2' ' O ' ' B' ' 910' ' ' LEU . 1.1 mp0 -65.84 -45.08 83.56 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.27 96.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.683 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 916' ' ' SER . . . . . 0.409 ' O ' HD13 ' B' ' 920' ' ' LEU . 49.1 m -60.63 -39.39 88.09 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.288 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.61 -42.22 98.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.103 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -58.87 -42.33 89.17 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.575 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -61.35 -42.08 98.11 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.5 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 920' ' ' LEU . . . . . 0.409 HD13 ' O ' ' B' ' 916' ' ' SER . 8.0 mp -60.05 -38.71 83.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.77 -41.01 94.67 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.094 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.11 -38.41 91.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.805 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.14 -41.74 89.03 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.269 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -62.65 -41.69 99.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.186 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -62.58 -47.21 84.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.476 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 926' ' ' VAL . . . . . 0.471 HG11 ' OE2' ' A' ' 909' ' ' GLU . 96.3 t -65.53 -44.59 93.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.079 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -60.68 -48.71 80.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.9 -42.8 94.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.974 0.416 . . . . 0.0 110.704 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 929' ' ' LEU . . . . . 0.49 ' O ' ' ND2' ' B' ' 933' ' ' ASN . 38.7 mt -63.45 -39.27 94.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.6 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.61 -42.11 98.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.197 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 13.8 p -61.56 -44.52 96.88 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.053 0.454 . . . . 0.0 111.005 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.42 -42.99 91.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.527 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 933' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 929' ' ' LEU . 63.1 m-80 -60.62 -39.78 89.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.814 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.91 -41.0 90.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.127 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 935' ' ' HIS . . . . . 0.515 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 82.0 t60 -60.04 -45.82 91.57 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.149 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 936' ' ' LEU . . . . . 0.433 HD22 ' N ' ' B' ' 936' ' ' LEU . 4.2 mm? -69.18 -34.33 74.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.235 178.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 937' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 80.5 tt0 -61.22 -45.11 95.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.15 -42.13 89.48 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.201 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 939' ' ' GLU . . . . . 0.515 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.9 mt-10 -66.91 -51.25 57.63 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.379 -0.529 . . . . 0.0 111.177 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 940' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 936' ' ' LEU . 76.5 t -66.31 -45.35 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.659 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 941' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -58.48 -37.05 74.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -61.32 -44.76 96.67 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 33.4 mt -66.42 -40.24 89.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.064 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -60.31 -38.03 82.42 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.657 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -53.46 -33.1 52.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.68 -49.2 78.45 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.265 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 75.1 t -74.12 -42.38 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.105 0.479 . . . . 0.0 110.493 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . -176.68 -71.06 0.06 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.572 -179.933 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 88.3 mttt . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 120.572 0.225 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.49 -45.94 81.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.397 . . . . 0.0 110.233 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.91 -43.83 96.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -66.41 -38.28 87.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.087 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -63.19 -47.22 83.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.968 0.413 . . . . 0.0 110.586 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.18 -41.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.266 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 40.4 mt -57.96 -41.4 82.79 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.151 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -63.26 -38.35 90.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.944 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.64 -37.93 89.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.56 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 895' ' ' GLU . . . . . 0.571 ' HA ' ' HZ1' ' B' ' 944' ' ' LYS . 97.5 mt-10 -61.93 -40.14 94.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -63.46 -43.98 95.81 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.311 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -68.12 -42.18 80.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 5.0 mm -64.24 -44.0 97.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.745 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -60.07 -39.6 86.61 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.991 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 900' ' ' ASP . . . . . 0.406 ' HA ' ' HE ' ' A' ' 903' ' ' ARG . 68.3 t0 -62.14 -43.52 98.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.84 -41.48 99.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.539 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 902' ' ' GLN . . . . . 0.546 ' NE2' ' OE2' ' B' ' 937' ' ' GLU . 95.2 mm-40 -60.23 -47.21 86.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 903' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 907' ' ' ARG . 90.9 mtm180 -66.62 -39.39 88.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.508 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 84.7 mmm -63.83 -44.24 93.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.67 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 905' ' ' LYS . . . . . 0.466 ' NZ ' ' CD1' ' B' ' 930' ' ' LEU . 28.0 tttt -65.0 -47.71 76.54 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.795 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -67.27 -38.94 85.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.056 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 907' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 903' ' ' ARG . 13.6 mmm180 -60.71 -43.52 97.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.86 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 908' ' ' GLN . . . . . 0.458 ' OE1' HD12 ' B' ' 922' ' ' LEU . 97.6 mm-40 -64.96 -43.89 91.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.898 0.38 . . . . 0.0 110.604 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.39 -39.35 86.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.234 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.52 -38.71 92.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.316 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 67.6 m -61.54 -41.34 97.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.506 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.96 -41.63 99.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 70.6 m -60.32 -46.4 90.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.0 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.85 -38.01 89.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.303 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.21 94.81 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 916' ' ' SER . . . . . 0.534 ' CA ' ' HZ2' ' B' ' 919' ' ' LYS . 42.1 t -63.1 -45.44 92.06 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.687 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -41.94 98.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.724 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -59.35 -41.69 89.78 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.173 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 919' ' ' LYS . . . . . 0.539 ' HZ2' ' CA ' ' B' ' 916' ' ' SER . 55.1 mtpt -60.1 -41.28 92.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.526 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.29 -38.56 83.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.29 -41.77 94.07 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.107 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 922' ' ' LEU . . . . . 0.494 HD12 ' OE1' ' B' ' 908' ' ' GLN . 4.1 mm? -62.27 -38.91 91.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.147 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.07 -39.52 82.35 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.514 -0.475 . . . . 0.0 110.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.09 -44.54 95.43 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.243 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.85 -46.4 78.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.903 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.11 -41.87 92.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.355 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -57.8 -48.95 78.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.969 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -68.58 -44.53 74.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.76 -40.48 97.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 930' ' ' LEU . . . . . 0.451 ' CD1' ' NZ ' ' B' ' 905' ' ' LYS . 5.8 tt -62.43 -43.9 97.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.165 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 67.3 m -63.62 -44.38 94.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.963 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.71 -43.72 88.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.394 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -59.91 -41.15 91.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.905 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 934' ' ' TYR . . . . . 0.484 ' CE2' ' ND2' ' A' ' 938' ' ' ASN . 90.7 t80 -60.36 -42.24 95.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.274 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 935' ' ' HIS . . . . . 0.513 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 86.8 t60 -65.47 -45.54 83.31 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.162 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 940' ' ' VAL . 10.4 mp -65.22 -37.77 88.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.282 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 937' ' ' GLU . . . . . 0.541 ' OE2' ' NE2' ' B' ' 902' ' ' GLN . 75.3 mt-10 -63.06 -44.49 95.67 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.769 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 938' ' ' ASN . . . . . 0.484 ' ND2' ' CE2' ' A' ' 934' ' ' TYR . 92.7 m-20 -62.91 -43.39 98.92 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.222 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 939' ' ' GLU . . . . . 0.513 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 98.8 mt-10 -72.01 -50.9 24.78 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.271 -0.572 . . . . 0.0 111.572 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 940' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 936' ' ' LEU . 95.8 t -64.57 -46.3 93.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 941' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.33 -36.42 75.63 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.22 -46.64 89.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.49 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.05 -34.28 73.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 944' ' ' LYS . . . . . 0.569 ' HZ1' ' HA ' ' B' ' 895' ' ' GLU . 3.4 tppt? -57.47 -36.84 71.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.244 -178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.9 -35.73 75.48 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.904 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.12 -50.78 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.466 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 86.4 t -80.32 -42.78 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.03 0.443 . . . . 0.0 110.8 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 165.54 106.97 0.2 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.612 -179.9 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.915 0.388 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -55.06 -29.5 57.62 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.976 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -62.77 -45.32 93.23 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.625 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -65.53 -46.0 81.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 110.352 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.94 -43.69 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -66.33 -38.61 88.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -63.05 -47.36 83.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.957 0.408 . . . . 0.0 110.545 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.13 -41.98 93.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.227 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 39.6 mt -58.01 -41.44 83.12 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.012 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -63.27 -38.26 90.46 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.977 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 894' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 894' ' ' LEU . 95.1 mt -63.51 -38.26 90.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.532 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 895' ' ' GLU . . . . . 0.569 ' HA ' ' HZ1' ' A' ' 944' ' ' LYS . 96.3 mt-10 -61.8 -40.24 94.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -63.32 -43.84 96.64 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.231 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.28 -42.11 80.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.25 -44.03 97.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.03 -39.93 87.59 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.274 -0.571 . . . . 0.0 110.009 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 900' ' ' ASP . . . . . 0.412 ' HA ' ' HE ' ' B' ' 903' ' ' ARG . 65.1 t0 -61.83 -43.45 98.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.594 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.04 -41.47 99.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.627 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 902' ' ' GLN . . . . . 0.541 ' NE2' ' OE2' ' A' ' 937' ' ' GLU . 94.8 mm-40 -60.16 -46.74 88.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 903' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' B' ' 907' ' ' ARG . 90.7 mtm180 -66.9 -39.55 87.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.49 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 84.0 mmm -63.62 -44.41 94.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.708 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 905' ' ' LYS . . . . . 0.451 ' NZ ' ' CD1' ' A' ' 930' ' ' LEU . 28.5 tttt -65.04 -47.81 76.07 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.883 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -67.15 -38.81 86.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 907' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 13.5 mmm180 -60.7 -43.88 97.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.874 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 908' ' ' GLN . . . . . 0.494 ' OE1' HD12 ' A' ' 922' ' ' LEU . 98.2 mm-40 -64.67 -43.57 93.15 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.606 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.56 -39.18 87.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.192 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.67 -38.77 92.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.151 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 73.6 m -61.47 -41.45 97.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.425 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.91 -41.62 99.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 74.2 m -60.43 -46.46 89.96 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.97 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.72 -37.89 89.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.249 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.12 95.09 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 916' ' ' SER . . . . . 0.539 ' CA ' ' HZ2' ' A' ' 919' ' ' LYS . 38.5 t -63.35 -45.16 92.47 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.66 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -42.07 98.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.707 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -59.39 -41.48 89.48 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.128 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 919' ' ' LYS . . . . . 0.534 ' HZ2' ' CA ' ' A' ' 916' ' ' SER . 55.4 mtpt -60.15 -41.57 93.04 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.634 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.08 -38.5 83.09 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.32 -41.81 94.29 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.161 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 922' ' ' LEU . . . . . 0.458 HD12 ' OE1' ' A' ' 908' ' ' GLN . 4.1 mm? -62.22 -38.89 90.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.183 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.02 -39.66 82.59 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.041 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.97 -44.4 96.15 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.288 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.86 -46.31 78.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.32 -42.01 92.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.372 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -57.67 -48.87 78.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.988 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -68.73 -44.35 74.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.96 -40.4 97.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.354 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 930' ' ' LEU . . . . . 0.466 ' CD1' ' NZ ' ' A' ' 905' ' ' LYS . 5.9 tt -62.49 -43.76 98.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.192 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 68.1 m -63.64 -44.45 93.83 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.868 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.02 -43.71 86.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.421 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -60.08 -40.82 90.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 934' ' ' TYR . . . . . 0.496 ' CE2' ' ND2' ' B' ' 938' ' ' ASN . 90.8 t80 -60.67 -42.59 97.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.319 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 935' ' ' HIS . . . . . 0.522 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 86.6 t60 -65.34 -45.46 84.12 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.037 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 936' ' ' LEU . . . . . 0.461 ' O ' HG23 ' B' ' 940' ' ' VAL . 10.5 mp -65.16 -37.44 87.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.291 179.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 937' ' ' GLU . . . . . 0.546 ' OE2' ' NE2' ' A' ' 902' ' ' GLN . 73.7 mt-10 -63.29 -44.46 94.97 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 938' ' ' ASN . . . . . 0.496 ' ND2' ' CE2' ' B' ' 934' ' ' TYR . 93.3 m-20 -63.01 -43.45 98.74 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.336 -0.546 . . . . 0.0 111.174 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 939' ' ' GLU . . . . . 0.522 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.9 mt-10 -71.85 -50.8 26.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.534 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 940' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 936' ' ' LEU . 91.7 t -64.64 -46.22 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.858 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 941' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.57 -36.04 75.43 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -60.19 -46.75 88.66 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.528 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.98 -35.05 74.14 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.845 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 944' ' ' LYS . . . . . 0.571 ' HZ1' ' HA ' ' A' ' 895' ' ' GLU . 3.4 tppt? -56.53 -36.77 69.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.239 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.1 -36.06 76.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.923 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 62.3 mt -58.14 -50.52 73.22 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.334 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.31 -42.82 21.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.055 0.455 . . . . 0.0 110.827 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 165.17 107.13 0.2 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.656 -179.916 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 45.7 mttp . . . . . 0 N--CA 1.444 -0.765 0 CA-C-O 120.524 0.202 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -64.3 -49.54 71.39 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 86.3 t -61.29 -47.36 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.241 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.92 -31.86 73.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.939 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -64.12 -45.3 89.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.33 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.73 -42.75 95.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.939 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.37 -39.6 80.04 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.272 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.75 -39.06 92.96 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.461 -0.495 . . . . 0.0 109.919 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 894' ' ' LEU . . . . . 0.498 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.2 mt -62.95 -37.8 88.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.482 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 895' ' ' GLU . . . . . 0.472 ' HA ' ' HZ1' ' B' ' 944' ' ' LYS . 97.5 mt-10 -63.16 -44.96 94.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.915 0.388 . . . . 0.0 110.366 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -68.16 -43.92 77.14 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -70.22 -51.04 33.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.382 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 898' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 894' ' ' LEU . 9.6 tp -59.9 -40.69 83.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.974 0.416 . . . . 0.0 110.044 -179.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 899' ' ' GLU . . . . . 0.524 ' CG ' ' NH1' ' A' ' 903' ' ' ARG . 81.0 tt0 -62.99 -38.76 92.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.252 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.56 -44.07 97.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.87 -40.48 96.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -58.49 -48.09 81.94 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.647 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 903' ' ' ARG . . . . . 0.524 ' NH1' ' CG ' ' A' ' 899' ' ' GLU . 59.3 mtt85 -64.99 -41.04 95.76 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.08 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 92.0 mtp -64.74 -46.63 81.39 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.19 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.13 -44.55 79.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.051 0.453 . . . . 0.0 110.575 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.49 -43.23 85.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 907' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 903' ' ' ARG . 20.5 mmt85 -63.07 -40.59 98.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -61.39 -45.96 92.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.334 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 909' ' ' GLU . . . . . 0.528 ' OE2' HD22 ' B' ' 930' ' ' LEU . 98.3 mt-10 -60.15 -39.15 85.34 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.571 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.67 -40.02 95.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.514 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 71.0 m -61.76 -41.58 97.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.68 -38.84 92.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 74.2 m -59.93 -45.11 93.67 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.076 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.72 -44.25 86.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.698 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.74 96.6 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 63.6 m -60.34 -40.34 90.33 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.373 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 917' ' ' LEU . 34.6 mt -61.6 -42.35 98.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.37 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -58.8 -42.29 88.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.195 0.521 . . . . 0.0 110.582 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -60.99 -42.66 98.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.621 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 7.7 mp -59.81 -38.02 80.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.976 0.417 . . . . 0.0 110.16 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.92 -42.87 98.97 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.493 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.28 -37.27 86.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.975 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.6 -38.63 85.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.093 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -66.35 -40.3 89.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.327 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 925' ' ' LYS . . . . . 0.497 ' O ' HD13 ' A' ' 929' ' ' LEU . 88.8 tttt -65.14 -52.07 57.41 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.482 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.6 -38.09 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.08 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -56.76 -44.76 82.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.249 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -63.72 -38.47 91.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.97 0.415 . . . . 0.0 110.297 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 929' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 925' ' ' LYS . 7.0 mp -63.01 -41.15 99.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.097 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 930' ' ' LEU . . . . . 0.544 HD22 ' OE2' ' B' ' 909' ' ' GLU . 41.7 tp -61.99 -42.51 99.23 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.135 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 72.6 p -58.8 -42.8 89.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.48 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.51 -38.72 91.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.984 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.57 -41.32 89.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.974 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.05 -46.13 91.96 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.181 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 935' ' ' HIS . . . . . 0.523 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 86.3 t60 -65.58 -43.91 88.28 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.66 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.19 -39.37 93.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.374 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 937' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 41.3 mm-40 -59.82 -41.5 91.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.169 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.19 -41.79 96.95 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.672 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 939' ' ' GLU . . . . . 0.523 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 98.4 mt-10 -68.63 -50.54 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.72 -44.54 93.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.443 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 941' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.55 -37.95 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.885 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.26 -46.48 90.19 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.264 -0.575 . . . . 0.0 109.648 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 89.2 mt -70.0 -33.59 72.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.715 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 944' ' ' LYS . . . . . 0.483 ' HZ1' ' HA ' ' B' ' 895' ' ' GLU . 2.8 tppt? -58.19 -37.25 74.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.41 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.88 -34.62 74.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.76 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.65 -45.39 92.15 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.468 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 98.4 t -88.64 -42.04 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 0.0 110.62 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 167.97 107.14 0.2 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.577 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.928 0.394 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -54.23 -29.93 48.28 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.77 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -63.08 -45.25 93.01 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.689 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -64.44 -49.46 71.37 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.037 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 85.5 t -61.29 -47.23 94.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.121 0.486 . . . . 0.0 110.187 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.96 -31.6 72.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.93 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -64.32 -45.65 86.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.341 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.46 -42.74 95.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.855 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.36 -39.65 80.13 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.284 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.58 -38.73 91.27 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.101 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 894' ' ' LEU . . . . . 0.492 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.2 mt -63.51 -38.18 90.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.52 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 895' ' ' GLU . . . . . 0.483 ' HA ' ' HZ1' ' A' ' 944' ' ' LYS . 96.3 mt-10 -62.71 -45.02 94.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.903 0.383 . . . . 0.0 110.336 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -67.95 -44.02 77.71 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.35 -51.24 31.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.37 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 898' ' ' ILE . . . . . 0.492 HG22 ' O ' ' B' ' 894' ' ' LEU . 9.6 tp -59.55 -40.54 82.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.046 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 899' ' ' GLU . . . . . 0.523 ' CG ' ' NH1' ' B' ' 903' ' ' ARG . 81.4 tt0 -63.3 -38.33 90.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.191 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.87 -43.98 97.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.87 -40.71 97.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.616 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -58.42 -48.11 81.74 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.684 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 903' ' ' ARG . . . . . 0.523 ' NH1' ' CG ' ' B' ' 899' ' ' GLU . 58.3 mtt85 -64.97 -40.9 95.68 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.119 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 91.4 mtp -64.82 -46.6 81.29 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.167 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.08 -44.55 79.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 110.725 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.39 -43.18 86.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 907' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 21.0 mmt85 -62.97 -40.48 97.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -61.62 -46.09 91.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.428 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 909' ' ' GLU . . . . . 0.544 ' OE2' HD22 ' A' ' 930' ' ' LEU . 99.3 mt-10 -59.95 -38.79 83.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.988 0.423 . . . . 0.0 110.559 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.8 -40.3 96.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.556 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 74.1 m -61.72 -41.54 97.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.337 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.92 -39.03 93.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.295 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 71.8 m -59.7 -45.01 93.42 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.994 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.82 -44.63 85.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.55 97.45 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.932 0.396 . . . . 0.0 110.694 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 70.3 m -60.56 -40.63 92.33 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.458 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 917' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 917' ' ' LEU . 34.1 mt -61.5 -42.15 98.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -59.03 -42.37 90.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.138 0.494 . . . . 0.0 110.489 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -60.71 -42.83 98.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.638 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 7.8 mp -59.81 -37.95 80.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.141 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.85 -43.08 98.81 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.493 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.03 -36.77 84.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.101 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.08 -38.9 87.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.216 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -66.23 -39.82 89.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.399 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 925' ' ' LYS . . . . . 0.484 ' O ' HD13 ' B' ' 929' ' ' LEU . 88.9 tttt -65.45 -51.98 56.37 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.502 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 926' ' ' VAL . . . . . 0.402 HG13 ' N ' ' B' ' 927' ' ' GLU . 8.3 p -66.95 -37.81 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.089 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 927' ' ' GLU . . . . . 0.402 ' N ' HG13 ' B' ' 926' ' ' VAL . 33.9 tp10 -56.99 -44.32 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -64.05 -38.68 91.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.338 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 929' ' ' LEU . . . . . 0.484 HD13 ' O ' ' B' ' 925' ' ' LYS . 7.0 mp -62.93 -41.18 99.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.198 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 930' ' ' LEU . . . . . 0.528 HD22 ' OE2' ' A' ' 909' ' ' GLU . 42.8 tp -61.9 -42.56 99.22 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.043 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 63.1 p -58.88 -42.61 89.93 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.13 0.491 . . . . 0.0 110.385 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.66 -38.82 91.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.046 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -59.57 -41.15 89.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.011 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.05 -46.12 91.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.105 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 935' ' ' HIS . . . . . 0.513 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 86.3 t60 -65.47 -44.04 88.4 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.78 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.21 -39.5 94.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.281 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 937' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 41.1 mm-40 -59.43 -41.68 90.16 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.284 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -63.92 -41.93 97.53 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.723 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 939' ' ' GLU . . . . . 0.513 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.5 mt-10 -68.48 -50.44 52.34 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.984 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.07 -44.6 91.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.445 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 941' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.13 -38.3 79.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.774 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.25 -46.42 90.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.733 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.01 -33.22 71.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.821 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 944' ' ' LYS . . . . . 0.472 ' HZ1' ' HA ' ' A' ' 895' ' ' GLU . 2.7 tppt? -58.56 -37.29 75.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.297 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -60.93 -34.1 74.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.776 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.22 -44.08 95.46 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.392 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 98.3 t -90.22 -41.85 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.543 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 168.06 107.12 0.2 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.523 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 90.4 mttt . . . . . 0 N--CA 1.445 -0.716 0 CA-C-O 120.554 0.216 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.47 -46.17 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.05 0.452 . . . . 0.0 110.321 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.99 -44.42 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.277 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -67.23 -41.62 85.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.595 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -65.07 -49.61 69.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.033 0.444 . . . . 0.0 110.819 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.44 -41.76 93.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.053 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 57.4 tp -55.81 -42.76 76.12 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.13 -39.86 94.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.5 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 894' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 898' ' ' ILE . 95.8 mt -63.0 -39.79 95.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.938 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.99 -41.54 90.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.175 0.512 . . . . 0.0 110.223 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.22 -45.1 67.25 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.829 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.59 -48.86 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.713 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 898' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 894' ' ' LEU . 10.2 tp -61.49 -42.18 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.118 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 899' ' ' GLU . . . . . 0.471 ' N ' HG23 ' A' ' 898' ' ' ILE . 87.4 mt-10 -61.87 -38.6 88.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.846 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.37 -43.89 98.09 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.374 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.02 -41.33 86.82 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.902 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -62.45 -39.39 93.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.347 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 903' ' ' ARG . . . . . 0.686 ' NH2' HH21 ' A' ' 907' ' ' ARG . 16.8 mmm180 -62.95 -45.48 92.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 91.3 mtp -65.68 -41.82 92.0 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.681 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -61.15 -45.96 92.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.508 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.45 -40.09 92.8 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.897 0.379 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 907' ' ' ARG . . . . . 0.686 HH21 ' NH2' ' A' ' 903' ' ' ARG . 95.1 mtt-85 -69.34 -39.28 78.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.335 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 908' ' ' GLN . . . . . 0.485 ' O ' HD13 ' A' ' 912' ' ' LEU . 74.5 mm-40 -63.23 -48.61 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.089 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -68.39 -36.51 79.26 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.098 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.79 -43.02 99.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.334 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 70.3 m -62.33 -42.59 99.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.274 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 912' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 908' ' ' GLN . 7.3 mp -63.62 -37.67 88.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.354 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -60.52 -47.18 87.27 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.074 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.19 -45.65 80.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 915' ' ' ALA . . . . . 0.477 ' HB1' ' NZ ' ' B' ' 919' ' ' LYS . . . -64.95 -39.09 92.97 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.813 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 40.9 t -60.78 -41.41 95.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.297 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 917' ' ' LEU . 33.9 mt -61.06 -41.27 96.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.106 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -60.16 -39.42 86.35 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.433 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 919' ' ' LYS . . . . . 0.467 ' NZ ' ' HB1' ' B' ' 915' ' ' ALA . 69.1 mmtt -62.37 -42.45 99.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.727 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.62 -39.51 84.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.72 -41.37 95.13 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.078 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.31 -39.54 93.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.999 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -58.69 -39.52 80.94 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.126 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.33 -43.02 99.79 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.043 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.85 -48.62 76.02 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.752 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.35 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -57.44 -48.93 77.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.061 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.55 -46.86 77.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.305 . . . . 0.0 111.32 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.78 -39.35 94.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.03 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.53 -43.39 98.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.736 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 8.4 p -62.16 -43.98 97.62 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.659 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 932' ' ' LYS . . . . . 0.423 ' O ' HD13 ' A' ' 936' ' ' LEU . 63.4 mttm -65.85 -41.32 91.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.533 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -60.78 -41.77 96.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.055 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -62.24 -45.55 92.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.837 0.351 . . . . 0.0 110.259 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -65.13 -44.79 87.53 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.868 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 940' ' ' VAL . 9.6 mp -64.68 -39.81 94.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.167 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 937' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 70.6 mt-10 -56.83 -42.48 79.73 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.96 -40.51 91.34 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.01 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.35 -52.52 53.23 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.297 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 940' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 941' ' ' ALA . 22.0 m -67.53 -41.17 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.113 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 941' ' ' ALA . . . . . 0.49 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -60.17 -42.06 94.19 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.145 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.78 -47.97 82.77 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.877 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 99.5 mt -69.48 -39.27 77.78 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.063 0.458 . . . . 0.0 111.734 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 944' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 949' ' ' GLU . 45.5 mtpt -60.71 -38.91 86.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.435 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -60.38 -38.04 82.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.16 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.21 -44.43 96.6 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.43 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 61.2 t -71.11 -42.42 76.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.584 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.64 45.55 0.03 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 949' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 944' ' ' LYS . 97.5 mt-10 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.972 0.415 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -54.87 -28.93 53.88 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.659 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -61.9 -45.38 94.0 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.515 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -67.19 -46.75 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.14 0.495 . . . . 0.0 110.411 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.43 -44.71 99.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.287 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.1 -41.45 86.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.669 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.12 -49.49 69.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 110.799 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.41 -41.77 93.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.004 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 57.7 tp -55.97 -42.82 76.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.35 -39.64 94.29 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.407 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 894' ' ' LEU . . . . . 0.482 ' O ' HG22 ' B' ' 898' ' ' ILE . 95.8 mt -62.88 -39.86 95.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.86 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.12 -41.74 90.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.127 0.489 . . . . 0.0 110.169 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.83 -44.84 69.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.022 0.439 . . . . 0.0 110.893 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -69.1 -49.0 61.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.627 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 898' ' ' ILE . . . . . 0.482 HG22 ' O ' ' B' ' 894' ' ' LEU . 10.0 tp -61.35 -41.99 91.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.107 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 899' ' ' GLU . . . . . 0.464 ' N ' HG23 ' B' ' 898' ' ' ILE . 88.7 mt-10 -61.92 -38.85 89.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.46 -43.71 98.39 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.331 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.84 -41.41 87.44 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.937 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -62.4 -39.53 93.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.345 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 903' ' ' ARG . . . . . 0.677 ' NH2' HH21 ' B' ' 907' ' ' ARG . 17.1 mmm180 -62.74 -45.44 92.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 92.1 mtp -65.75 -41.82 91.67 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.694 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.09 -45.87 92.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.549 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.56 -40.07 92.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.959 0.409 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 907' ' ' ARG . . . . . 0.677 HH21 ' NH2' ' B' ' 903' ' ' ARG . 95.2 mtt-85 -69.28 -39.22 78.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.286 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 908' ' ' GLN . . . . . 0.491 ' O ' HD13 ' B' ' 912' ' ' LEU . 75.3 mm-40 -63.39 -48.55 77.42 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.153 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -68.36 -36.52 79.33 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.119 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.0 -42.86 99.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.233 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 69.1 m -62.39 -42.6 99.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.226 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 912' ' ' LEU . . . . . 0.491 HD13 ' O ' ' B' ' 908' ' ' GLN . 7.3 mp -63.69 -37.69 88.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.366 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 73.0 m -60.39 -47.22 87.01 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.062 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.2 -45.73 79.76 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.08 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 915' ' ' ALA . . . . . 0.467 ' HB1' ' NZ ' ' A' ' 919' ' ' LYS . . . -64.9 -39.12 93.03 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.778 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 44.5 t -60.65 -41.35 94.79 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.287 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 917' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' B' ' 917' ' ' LEU . 33.2 mt -61.05 -41.29 96.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.107 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -60.24 -39.33 86.32 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.458 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 919' ' ' LYS . . . . . 0.477 ' NZ ' ' HB1' ' A' ' 915' ' ' ALA . 69.2 mmtt -62.47 -42.42 99.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.697 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.54 -39.69 84.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.67 -41.32 94.82 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.155 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.31 -39.61 93.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.081 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -58.47 -39.48 80.07 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.125 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.39 -43.43 98.84 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.985 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.52 -48.36 77.87 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.737 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 88.5 t -64.47 -40.83 90.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.076 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -57.15 -49.0 77.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.044 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.48 -46.99 77.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.759 0.314 . . . . 0.0 111.344 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.76 -39.21 93.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.926 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.6 -43.43 98.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.779 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 6.5 p -62.33 -43.74 98.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.612 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 932' ' ' LYS . . . . . 0.43 ' O ' HD13 ' B' ' 936' ' ' LEU . 63.4 mttm -65.98 -41.54 91.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.657 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -60.73 -41.8 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.086 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -62.13 -45.75 92.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.904 0.383 . . . . 0.0 110.443 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -64.98 -44.69 88.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.892 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 936' ' ' LEU . . . . . 0.47 ' O ' HG22 ' B' ' 940' ' ' VAL . 9.6 mp -64.81 -39.75 94.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.137 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 937' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 70.1 mt-10 -56.62 -42.53 78.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.184 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -66.09 -40.6 90.91 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.024 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.12 -52.3 56.13 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.298 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 940' ' ' VAL . . . . . 0.486 HG23 ' N ' ' B' ' 941' ' ' ALA . 21.2 m -67.63 -41.16 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.11 179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 941' ' ' ALA . . . . . 0.486 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -60.2 -42.18 94.56 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.271 -0.571 . . . . 0.0 110.165 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -61.77 -47.91 83.05 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.809 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.54 -39.18 77.62 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 111.694 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 944' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' B' ' 949' ' ' GLU . 45.5 mtpt -60.75 -38.88 86.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.45 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -60.32 -37.94 82.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.224 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.39 -44.3 96.78 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.457 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 71.0 t -71.15 -42.56 75.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.575 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.02 45.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 949' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 944' ' ' LYS . 97.0 mt-10 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.615 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 886' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 887' ' ' GLN . 24.1 pttm . . . . . 0 N--CA 1.445 -0.703 0 CA-C-O 120.739 0.304 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 886' ' ' LYS . 54.4 tt0 -68.01 -39.48 83.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.455 0.645 . . . . 0.0 110.391 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.82 -40.37 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.678 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -66.69 -45.54 78.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.763 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -67.15 -40.33 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.275 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 2.1 tp -65.04 -38.21 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.589 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.67 -41.02 96.98 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.159 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -62.45 -37.88 87.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.503 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.49 -38.66 92.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.196 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 895' ' ' GLU . . . . . 0.673 ' HA ' ' HZ1' ' B' ' 944' ' ' LYS . 98.2 mt-10 -60.92 -41.22 95.75 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.34 -44.07 95.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -69.9 -45.69 67.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 5.2 mm -63.39 -44.39 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.4 -40.84 92.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.211 -0.595 . . . . 0.0 110.146 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.46 -42.48 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.6 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.22 -39.63 95.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.379 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -59.0 -42.37 89.93 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.633 -0.427 . . . . 0.0 109.927 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -64.58 -41.82 96.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.094 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 97.1 mmm -63.3 -47.05 83.92 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.033 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 905' ' ' LYS . . . . . 0.427 ' HZ2' ' HG ' ' B' ' 930' ' ' LEU . 23.5 tttt -66.75 -46.54 75.06 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.675 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.69 -43.67 92.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.705 0.288 . . . . 0.0 111.076 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -64.24 -40.67 96.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.878 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.31 -43.48 94.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.851 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.78 -39.38 93.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 110.081 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.16 -40.47 96.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.474 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 39.1 t -63.06 -42.47 99.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.664 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.4 mt -63.31 -39.54 94.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -61.69 -46.42 89.77 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.79 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.29 -44.29 83.93 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.66 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.29 93.79 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.749 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 73.0 m -60.69 -39.54 88.86 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 29.3 mt -61.88 -42.44 99.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.46 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -61.82 -45.15 95.06 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.964 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -61.21 -40.36 93.69 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.075 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.35 -39.2 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.8 -41.55 95.86 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.874 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.1 -38.89 90.58 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.309 -0.557 . . . . 0.0 109.749 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -59.97 -39.12 84.57 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.264 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.53 -43.74 98.07 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.092 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.94 -46.03 86.54 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.072 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 83.8 t -66.65 -43.42 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.331 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -57.63 -48.18 80.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.02 -41.05 87.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.516 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.98 -41.53 99.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.763 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 930' ' ' LEU . . . . . 0.426 ' HG ' ' HZ2' ' B' ' 905' ' ' LYS . 5.1 tt -61.9 -43.83 98.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 42.4 t -63.38 -44.58 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.788 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.88 -43.4 83.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.255 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 933' ' ' ASN . . . . . 0.524 ' ND2' ' OE2' ' A' ' 937' ' ' GLU . 47.4 t30 -63.19 -41.15 99.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.654 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 934' ' ' TYR . . . . . 0.625 ' CZ ' ' ND2' ' A' ' 938' ' ' ASN . 67.9 t80 -60.68 -43.43 97.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.441 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -65.6 -44.35 86.83 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.587 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.13 -40.59 94.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 937' ' ' GLU . . . . . 0.524 ' OE2' ' ND2' ' A' ' 933' ' ' ASN . 92.0 mt-10 -63.04 -43.27 99.14 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 938' ' ' ASN . . . . . 0.625 ' ND2' ' CZ ' ' A' ' 934' ' ' TYR . 82.7 m-20 -63.72 -42.13 97.96 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.367 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.49 -51.23 37.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.319 0.58 . . . . 0.0 111.21 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 64.7 t -66.86 -43.66 89.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.697 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 941' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.37 -36.84 76.52 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.79 -46.39 90.66 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 99.1 mt -69.26 -34.32 74.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.086 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 944' ' ' LYS . . . . . 0.651 ' HZ1' ' HA ' ' B' ' 895' ' ' GLU . 3.9 tppt? -57.15 -38.37 73.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.118 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.79 -33.3 71.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.098 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.57 -49.12 78.81 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.474 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.29 -42.74 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 166.36 108.3 0.21 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.764 -179.767 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 120.933 0.397 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -53.12 -28.54 26.24 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 886' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' B' ' 887' ' ' GLN . 24.1 pttm -61.5 -45.14 95.48 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.716 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 887' ' ' GLN . . . . . 0.446 ' N ' ' CG ' ' B' ' 886' ' ' LYS . 54.8 tt0 -68.16 -39.59 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.425 0.631 . . . . 0.0 110.4 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 56.2 t -70.74 -40.4 76.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.732 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -66.51 -45.53 79.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.727 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.22 -40.31 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.277 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 2.1 tp -64.95 -38.32 82.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.62 -41.09 96.98 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.197 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -62.53 -37.68 87.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.538 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.56 -38.61 91.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.294 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 895' ' ' GLU . . . . . 0.651 ' HA ' ' HZ1' ' A' ' 944' ' ' LYS . 98.1 mt-10 -60.91 -41.22 95.71 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.861 0.362 . . . . 0.0 110.147 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.39 -43.97 96.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.598 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -69.95 -45.73 66.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 5.3 mm -63.43 -44.3 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.47 -40.78 92.49 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.129 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.49 -42.48 98.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.519 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.23 -39.58 95.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.393 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -59.03 -42.58 90.53 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.703 -0.399 . . . . 0.0 109.941 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -64.61 -41.52 96.15 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.201 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.45 -46.99 83.71 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.003 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 905' ' ' LYS . . . . . 0.426 ' HZ2' ' HG ' ' A' ' 930' ' ' LEU . 23.2 tttt -66.76 -46.53 75.08 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.645 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -64.62 -43.81 92.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.734 0.302 . . . . 0.0 111.073 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -64.17 -40.71 96.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -64.36 -43.45 94.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.76 -39.6 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.436 . . . . 0.0 110.036 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 63.5 mt -63.97 -40.57 96.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.466 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 38.4 t -62.87 -42.6 99.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 0.0 110.755 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.27 -39.64 95.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.597 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 72.2 m -61.54 -46.41 90.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.28 -44.39 83.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.594 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.3 94.07 Favored 'General case' 0 CA--C 1.512 -0.502 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.767 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 74.1 m -60.63 -39.71 89.29 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.055 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 917' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 917' ' ' LEU . 29.4 mt -61.94 -42.25 98.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.515 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -61.96 -45.07 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.006 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -61.16 -40.47 93.97 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.994 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.36 -39.19 78.88 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -60.75 -41.61 95.78 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.986 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.92 -39.05 90.69 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.783 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -59.88 -39.05 83.99 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.216 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.57 -43.82 97.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.041 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.9 -46.1 86.35 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.065 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 83.6 t -66.64 -43.46 90.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.38 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -57.56 -48.23 79.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.04 -41.03 87.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.749 0.309 . . . . 0.0 110.472 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.0 -41.38 99.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.796 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 930' ' ' LEU . . . . . 0.427 ' HG ' ' HZ2' ' A' ' 905' ' ' LYS . 5.0 tt -62.06 -43.81 98.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 42.2 t -63.24 -44.64 94.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.82 -43.38 83.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 933' ' ' ASN . . . . . 0.512 ' ND2' ' OE2' ' B' ' 937' ' ' GLU . 47.6 t30 -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.683 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 934' ' ' TYR . . . . . 0.609 ' CZ ' ' ND2' ' B' ' 938' ' ' ASN . 68.5 t80 -60.5 -43.56 96.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -65.6 -44.29 87.05 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.602 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.16 -40.49 94.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.52 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 937' ' ' GLU . . . . . 0.512 ' OE2' ' ND2' ' B' ' 933' ' ' ASN . 92.4 mt-10 -63.1 -43.33 98.78 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 938' ' ' ASN . . . . . 0.609 ' ND2' ' CZ ' ' B' ' 934' ' ' TYR . 83.1 m-20 -63.7 -42.04 98.03 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.315 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.38 -51.34 37.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.523 0.678 . . . . 0.0 111.35 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 64.3 t -66.91 -43.59 89.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.68 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 941' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.44 -36.91 76.81 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.72 -46.4 90.55 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 99.1 mt -69.31 -34.43 74.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.017 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 944' ' ' LYS . . . . . 0.673 ' HZ1' ' HA ' ' A' ' 895' ' ' GLU . 3.8 tppt? -57.07 -38.27 73.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.19 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.8 -33.26 71.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.65 -49.05 79.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.434 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.25 -42.9 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.147 0.498 . . . . 0.0 110.462 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 166.49 108.23 0.21 Allowed Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.818 -179.87 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 43.2 t -64.41 144.43 57.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.785 0.326 . . . . 0.0 110.586 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -67.37 -36.32 81.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -57.48 -20.15 28.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.848 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -54.12 -28.7 41.35 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -62.47 -45.55 92.51 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.521 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -66.06 -46.77 76.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.957 0.408 . . . . 0.0 110.215 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.17 -44.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.938 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.1 -34.86 77.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 890' ' ' GLU . . . . . 0.434 ' HA ' ' HE ' ' A' ' 893' ' ' ARG . 84.3 tt0 -63.78 -48.96 74.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.601 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.23 -40.98 91.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.859 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 49.1 tp -56.14 -42.4 76.87 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.84 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 893' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' A' ' 890' ' ' GLU . 88.0 mtm180 -64.15 -41.24 97.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.987 0.423 . . . . 0.0 110.492 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.75 -41.41 98.02 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.673 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.38 -44.16 97.11 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.465 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.43 -46.59 82.53 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.241 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -68.28 -47.71 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.752 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 898' ' ' ILE . . . . . 0.469 HD11 HG11 ' B' ' 940' ' ' VAL . 26.4 mm -62.5 -43.0 97.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 899' ' ' GLU . . . . . 0.479 ' OE2' ' NH2' ' A' ' 903' ' ' ARG . 83.9 tt0 -56.33 -40.6 74.68 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.871 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.04 -46.47 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.68 -40.07 94.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.669 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -59.07 -44.76 91.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.305 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 903' ' ' ARG . . . . . 0.479 ' NH2' ' OE2' ' A' ' 899' ' ' GLU . 99.5 mtt180 -65.54 -37.48 86.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 89.2 mtp -60.97 -42.02 97.5 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.32 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -65.15 -45.51 84.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.894 0.378 . . . . 0.0 110.531 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.23 -40.42 90.25 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.989 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -61.31 -42.98 99.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.457 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -63.61 -42.53 98.22 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.836 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.08 -38.72 83.74 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.26 0.552 . . . . 0.0 110.07 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.41 -37.98 89.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.985 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 44.8 t -61.43 -41.39 97.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.325 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.95 -42.2 99.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.323 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 76.9 m -61.77 -45.87 92.03 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.12 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.66 -37.51 86.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.298 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.4 -46.1 89.62 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.733 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 39.6 t -62.07 -44.48 96.59 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.277 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 35.0 mt -61.42 -41.29 96.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.214 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -61.47 -39.33 90.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.481 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -60.82 -44.69 96.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.692 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.81 -38.62 86.0 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -60.09 -40.28 89.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.986 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.46 -38.54 91.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.757 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.09 -41.04 87.08 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.193 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -64.04 -45.23 89.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.8 -47.54 71.77 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 121.042 0.449 . . . . 0.0 110.653 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.28 -42.22 95.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.142 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -57.65 -49.14 77.44 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.362 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.01 -47.31 65.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.371 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.46 -40.44 97.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.348 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 930' ' ' LEU . . . . . 0.701 ' C ' HD23 ' A' ' 930' ' ' LEU . 7.0 tt -62.34 -44.02 97.46 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.95 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 48.8 m -63.3 -44.55 94.68 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.978 0.418 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.25 -41.34 90.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.41 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.82 -39.79 90.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.79 -43.16 99.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.631 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.31 -46.62 89.54 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.461 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.48 ' O ' HG22 ' A' ' 940' ' ' VAL . 10.9 mp -67.95 -35.74 78.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.764 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 937' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 84.4 tt0 -55.98 -42.02 75.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.04 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.93 -40.46 79.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.435 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.38 -52.55 61.23 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.279 -0.569 . . . . 0.0 111.186 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 940' ' ' VAL . . . . . 0.594 HG23 ' N ' ' A' ' 941' ' ' ALA . 19.5 m -67.67 -44.25 86.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.628 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.594 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -56.02 -40.19 73.05 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.795 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -62.17 -45.53 93.01 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.919 -0.712 . . . . 0.0 109.857 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.38 -38.14 89.1 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.348 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 944' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 949' ' ' GLU . 2.4 mptm? -56.08 -37.08 68.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.72 -36.87 77.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.5 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 946' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 946' ' ' LEU . 9.5 mp -59.92 -45.85 91.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.132 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 57.4 t -71.52 -42.65 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.67 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 948' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 949' ' ' GLU . . . 154.39 40.9 0.02 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 949' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 948' ' ' GLY . 82.5 tt0 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.501 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 41.1 t -65.83 144.78 56.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.642 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -66.77 -36.49 82.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.688 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.27 -20.17 26.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.963 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -54.25 -28.99 45.2 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.828 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -62.47 -45.46 92.92 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.49 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -65.96 -46.5 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.273 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.61 -44.79 99.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.929 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.53 -34.9 78.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 890' ' ' GLU . . . . . 0.433 ' HA ' ' HE ' ' B' ' 893' ' ' ARG . 83.3 tt0 -63.6 -48.96 75.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.447 . . . . 0.0 110.555 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.13 -41.43 92.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.747 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.87 -42.3 75.67 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.894 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 893' ' ' ARG . . . . . 0.433 ' HE ' ' HA ' ' B' ' 890' ' ' GLU . 88.3 mtm180 -64.6 -41.16 96.41 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.506 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.63 -41.64 98.24 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.425 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.88 -44.47 96.74 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.529 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.54 -46.68 81.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.338 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -68.15 -47.71 67.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.799 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 898' ' ' ILE . . . . . 0.455 HD11 HG11 ' A' ' 940' ' ' VAL . 26.7 mm -62.27 -42.9 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 899' ' ' GLU . . . . . 0.471 ' OE2' ' NH2' ' B' ' 903' ' ' ARG . 84.0 tt0 -56.45 -40.73 75.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.896 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.04 -46.69 88.06 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.35 -40.37 95.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.826 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -59.04 -44.44 91.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.91 0.386 . . . . 0.0 110.263 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 903' ' ' ARG . . . . . 0.471 ' NH2' ' OE2' ' B' ' 899' ' ' GLU . 99.6 mtt180 -65.63 -37.23 86.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.451 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 88.9 mtp -60.95 -42.21 97.81 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.257 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -65.2 -45.49 84.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.965 0.412 . . . . 0.0 110.685 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.14 -40.58 90.7 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.105 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -61.24 -42.71 99.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.561 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -63.74 -42.44 97.87 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.776 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.17 -39.28 85.89 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.173 0.511 . . . . 0.0 110.043 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.11 -37.84 88.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.029 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 39.3 t -61.59 -41.31 97.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.277 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.9 -42.38 99.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.337 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 71.9 m -61.93 -45.43 93.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.153 0.501 . . . . 0.0 109.995 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.54 -37.47 86.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.052 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.16 89.9 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 42.1 t -62.01 -44.57 96.44 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.31 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.64 -40.79 96.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.197 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -62.03 -39.59 92.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.425 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -60.57 -44.3 96.33 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.775 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.75 -38.75 86.25 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.623 -0.431 . . . . 0.0 109.935 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.25 -40.51 90.58 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.231 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.52 -38.0 89.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.92 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -59.16 -41.07 87.49 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.252 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -63.99 -45.31 89.58 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.589 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.31 -47.61 72.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 121.043 0.449 . . . . 0.0 110.586 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.25 -42.21 95.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.119 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -57.61 -49.09 77.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.331 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -69.29 -47.4 64.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.711 0.291 . . . . 0.0 111.545 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.48 -40.35 96.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.23 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 930' ' ' LEU . . . . . 0.693 ' C ' HD23 ' B' ' 930' ' ' LEU . 7.1 tt -62.41 -43.91 97.69 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.896 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 53.1 m -63.44 -44.26 95.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.993 0.425 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.24 -41.44 90.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.278 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.72 -40.41 92.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.767 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.35 -42.68 99.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.55 -46.63 89.09 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.49 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 936' ' ' LEU . . . . . 0.466 ' O ' HG22 ' B' ' 940' ' ' VAL . 10.9 mp -68.31 -35.31 77.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.69 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 937' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 83.8 tt0 -55.73 -42.87 75.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.837 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.09 -40.44 82.63 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.361 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -63.68 -52.74 59.31 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.227 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 940' ' ' VAL . . . . . 0.57 HG23 ' N ' ' B' ' 941' ' ' ALA . 18.5 m -67.8 -43.68 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.565 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 941' ' ' ALA . . . . . 0.57 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -56.08 -40.72 74.05 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.839 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -62.04 -45.57 92.98 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.704 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.06 -38.83 92.1 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.492 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 944' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' B' ' 949' ' ' GLU . 2.4 mptm? -55.4 -37.36 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.68 -36.72 77.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.494 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 946' ' ' LEU . . . . . 0.558 HD12 ' N ' ' B' ' 946' ' ' LEU . 9.3 mp -60.07 -45.61 92.31 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.215 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.39 -42.64 73.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.59 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 154.11 41.3 0.02 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 949' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' B' ' 944' ' ' LYS . 84.1 tt0 . . . . . 0 C--O 1.217 -0.606 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.51 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 48.4 t -157.36 153.72 27.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.537 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -67.49 -37.74 83.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -55.37 -19.85 10.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.704 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -52.98 -29.47 29.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.991 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -62.93 -45.6 91.7 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.765 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.461 ' O ' HD13 ' A' ' 891' ' ' ILE . 88.3 mt-30 -64.95 -49.48 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.962 0.41 . . . . 0.0 109.947 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.74 -44.84 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.021 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -66.93 -35.54 80.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.756 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.46 -44.54 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.42 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 891' ' ' ILE . . . . . 0.461 HD13 ' O ' ' A' ' 887' ' ' GLN . 1.5 mp -62.51 -43.22 98.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.134 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 78.4 mt -59.54 -40.12 86.21 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.474 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.16 -38.42 91.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.047 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 894' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.4 mt -63.79 -38.77 92.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.606 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.22 -41.36 97.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 110.175 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.62 -45.0 63.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.147 0.498 . . . . 0.0 110.862 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -67.68 -48.73 65.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.306 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 898' ' ' ILE . . . . . 0.471 HG22 ' O ' ' A' ' 894' ' ' LEU . 10.1 tp -61.39 -41.81 91.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.12 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 899' ' ' GLU . . . . . 0.457 ' N ' HG23 ' A' ' 898' ' ' ILE . 82.3 tt0 -59.54 -38.6 81.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.911 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 900' ' ' ASP . . . . . 0.417 ' HA ' ' HE ' ' A' ' 903' ' ' ARG . 64.0 t0 -61.13 -43.77 98.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.233 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.03 -39.14 93.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.423 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -59.47 -46.67 88.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.77 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 903' ' ' ARG . . . . . 0.417 ' HE ' ' HA ' ' A' ' 900' ' ' ASP . 86.8 mtm180 -65.17 -38.54 90.86 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.29 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 91.9 mtp -62.23 -43.26 99.22 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.433 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -68.06 -46.63 70.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.839 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.57 -45.15 80.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.302 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.31 -40.96 96.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.605 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -64.61 -46.33 83.09 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.916 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.94 -38.42 82.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.936 0.398 . . . . 0.0 110.438 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.61 -40.44 95.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.947 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 67.0 m -61.63 -43.4 98.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.464 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 9.9 mp -64.38 -38.1 89.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 81.7 m -58.79 -48.74 80.21 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.226 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.63 -42.79 99.79 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.137 0.494 . . . . 0.0 110.459 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 915' ' ' ALA . . . . . 0.421 ' HB1' ' NZ ' ' B' ' 919' ' ' LYS . . . -64.11 -39.01 93.13 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.593 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.472 ' O ' HD13 ' A' ' 920' ' ' LEU . 71.0 m -59.45 -43.15 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.687 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.77 -41.65 97.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -57.91 -44.98 87.13 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.535 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 919' ' ' LYS . . . . . 0.415 ' NZ ' ' HB1' ' B' ' 915' ' ' ALA . 70.6 mmtt -60.44 -40.35 90.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.346 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 920' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 916' ' ' SER . 7.4 mp -58.23 -38.36 76.69 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.586 -0.445 . . . . 0.0 109.95 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.96 -42.0 98.63 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.048 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.72 -37.55 84.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.889 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.38 -38.26 88.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.082 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.35 -41.38 98.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.013 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.12 -48.93 76.42 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.709 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 88.1 t -65.3 -41.11 90.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.034 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -56.24 -48.67 76.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.886 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.309 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.36 -38.55 91.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.215 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 5.1 tt -61.5 -44.13 97.63 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.216 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 11.6 t -64.27 -43.99 93.09 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.748 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.82 -42.24 97.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.337 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -58.88 -40.68 85.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.059 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -62.15 -46.09 90.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 22.6 t60 -65.97 -45.22 82.5 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.905 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.463 ' O ' HG22 ' A' ' 940' ' ' VAL . 9.7 mp -65.73 -39.48 91.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.399 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 937' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 28.7 mm-40 -57.85 -44.06 86.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.52 -40.14 92.63 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.38 -53.08 40.07 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.566 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 940' ' ' VAL . . . . . 0.594 HG23 ' N ' ' A' ' 941' ' ' ALA . 15.3 m -67.33 -46.36 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.712 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.594 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -56.4 -40.62 74.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.413 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.27 -44.9 95.48 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.422 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 943' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 943' ' ' LEU . 39.5 mt -67.04 -40.53 87.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.301 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.57 -37.91 85.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -53.52 -34.47 58.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.23 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.76 -50.13 74.72 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.242 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 76.6 t -73.82 -42.16 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . -172.64 -78.21 0.05 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.871 -1.061 . . . . 0.0 110.539 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 45.7 t -157.85 153.53 26.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.885 0.374 . . . . 0.0 110.555 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -67.31 -36.7 82.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.56 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -56.41 -19.47 15.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -53.38 -29.1 32.87 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.956 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.19 -45.6 91.0 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 887' ' ' GLN . . . . . 0.468 ' O ' HD13 ' B' ' 891' ' ' ILE . 88.6 mt-30 -65.38 -48.85 71.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 109.988 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.1 -44.77 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 0.0 110.132 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.0 -35.58 80.27 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.719 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.58 -44.91 85.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 891' ' ' ILE . . . . . 0.468 HD13 ' O ' ' B' ' 887' ' ' GLN . 1.5 mp -61.81 -43.47 97.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.234 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.11 -40.96 87.02 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.481 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.41 -38.98 91.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.104 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 894' ' ' LEU . . . . . 0.467 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.3 mt -63.31 -39.05 93.5 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -63.91 -41.26 97.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.042 0.449 . . . . 0.0 110.167 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.64 -45.01 63.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.104 0.478 . . . . 0.0 110.923 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -67.78 -48.46 66.28 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.253 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 898' ' ' ILE . . . . . 0.467 HG22 ' O ' ' B' ' 894' ' ' LEU . 10.3 tp -61.48 -41.45 90.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 899' ' ' GLU . . . . . 0.442 ' N ' HG23 ' B' ' 898' ' ' ILE . 80.3 tt0 -59.86 -38.6 82.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.892 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 900' ' ' ASP . . . . . 0.416 ' HA ' ' HE ' ' B' ' 903' ' ' ARG . 65.2 t0 -61.11 -44.04 97.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.264 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.89 -39.09 93.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.467 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -59.55 -46.29 89.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.716 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 903' ' ' ARG . . . . . 0.416 ' HE ' ' HA ' ' B' ' 900' ' ' ASP . 87.0 mtm180 -65.63 -38.35 89.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.34 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 92.7 mtp -62.22 -43.05 99.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.922 0.391 . . . . 0.0 110.516 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -68.26 -46.83 69.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.761 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.44 -44.69 82.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.333 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.47 -41.57 97.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.711 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -64.47 -46.0 84.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.828 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.76 -39.32 84.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.986 0.422 . . . . 0.0 110.466 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 68.7 mt -64.31 -40.0 95.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.871 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 68.7 m -61.55 -43.38 98.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.626 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.9 -38.02 89.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 75.1 m -58.78 -48.3 81.72 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.228 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -63.1 -42.0 99.5 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.109 0.48 . . . . 0.0 110.43 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 915' ' ' ALA . . . . . 0.415 ' HB1' ' NZ ' ' A' ' 919' ' ' LYS . . . -64.67 -39.49 93.77 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.626 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 916' ' ' SER . . . . . 0.448 ' O ' HD13 ' B' ' 920' ' ' LEU . 66.8 m -59.19 -43.63 92.21 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.665 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.24 -41.76 97.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -57.83 -45.12 86.65 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.574 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 919' ' ' LYS . . . . . 0.421 ' NZ ' ' HB1' ' A' ' 915' ' ' ALA . 70.4 mmtt -60.12 -40.57 90.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.358 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 920' ' ' LEU . . . . . 0.448 HD13 ' O ' ' B' ' 916' ' ' SER . 7.4 mp -58.06 -38.58 76.58 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.82 -41.77 98.2 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.016 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.01 -37.05 83.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.827 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.92 -38.47 91.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.07 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.01 -41.3 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.119 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.18 -48.87 76.53 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.612 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 91.9 t -65.4 -41.24 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.146 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -56.11 -47.96 77.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.4 -46.5 89.89 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.2 -38.56 89.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.972 0.415 . . . . 0.0 109.983 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.49 -44.36 97.23 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.33 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 11.1 t -63.9 -44.07 94.07 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.728 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.88 -42.41 97.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.417 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -58.93 -40.27 84.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.979 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -62.5 -46.12 89.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.837 0.351 . . . . 0.0 110.452 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -65.93 -45.43 81.91 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.801 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 936' ' ' LEU . . . . . 0.444 ' O ' HG22 ' B' ' 940' ' ' VAL . 9.6 mp -65.35 -40.13 93.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.472 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 937' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 28.4 mm-40 -57.19 -44.18 83.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.361 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.28 -40.58 94.06 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.902 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.91 -53.13 43.49 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.643 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 940' ' ' VAL . . . . . 0.589 HG23 ' N ' ' B' ' 941' ' ' ALA . 15.5 m -67.34 -46.18 84.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.767 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 941' ' ' ALA . . . . . 0.589 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -56.4 -40.99 75.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.323 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -62.0 -45.3 94.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.007 0.432 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 943' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' B' ' 943' ' ' LEU . 38.7 mt -66.84 -40.7 88.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.252 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -61.33 -37.68 84.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.526 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -53.67 -34.61 59.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.34 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.81 -50.89 71.62 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.198 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 78.5 t -72.75 -42.32 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 110.347 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . -172.14 -77.73 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.47 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 882' ' ' SER . . . . . 0.507 ' N ' ' OD1' ' A' ' 885' ' ' ASN . 86.7 p -74.59 159.3 32.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.735 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -66.64 -35.53 80.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.727 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -57.73 -20.95 38.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.896 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 885' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 882' ' ' SER . 9.4 m120 -56.46 -29.54 61.83 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.171 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -62.94 -45.42 92.58 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.842 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.04 -43.56 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.408 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.73 -44.41 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.348 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.69 -41.55 87.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.02 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -63.56 -45.53 90.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.557 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.23 -40.19 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 892' ' ' LEU . . . . . 0.656 HD11 ' NZ ' ' A' ' 896' ' ' LYS . 50.1 tp -59.17 -42.67 91.34 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.201 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.14 -39.33 93.8 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.175 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 894' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.2 mt -63.09 -39.31 94.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.985 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.32 -41.69 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.129 0.49 . . . . 0.0 110.225 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 896' ' ' LYS . . . . . 0.656 ' NZ ' HD11 ' A' ' 892' ' ' LEU . 61.6 mttp -69.77 -44.61 69.81 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.749 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -68.51 -49.95 55.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.795 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 898' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 894' ' ' LEU . 9.8 tp -60.65 -41.97 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 899' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 898' ' ' ILE . 90.1 mt-10 -62.22 -38.3 88.63 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.53 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -61.56 -41.23 97.08 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.072 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.4 -41.78 88.8 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 902' ' ' GLN . . . . . 0.424 ' CG ' HD21 ' B' ' 933' ' ' ASN . 88.2 mt-30 -63.69 -39.29 93.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.51 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -63.21 -42.03 99.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.699 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 62.5 mtt -64.52 -41.96 96.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.516 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 905' ' ' LYS . . . . . 0.495 ' NZ ' ' OE2' ' A' ' 909' ' ' GLU . 13.6 tttp -62.36 -46.44 88.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.246 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.62 -44.95 88.9 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.786 -0.365 . . . . 0.0 111.01 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -65.74 -39.94 91.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.219 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -63.18 -45.62 90.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.173 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.495 ' OE2' ' NZ ' ' A' ' 905' ' ' LYS . 98.2 mt-10 -65.52 -41.23 93.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.103 0.477 . . . . 0.0 110.268 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.55 -40.5 95.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.501 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 11.2 t -62.91 -42.32 99.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.059 0.457 . . . . 0.0 110.59 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.36 -39.54 94.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.601 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 71.8 m -61.42 -47.98 83.29 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.102 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.42 -43.87 84.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 915' ' ' ALA . . . . . 0.446 ' HB1' ' NZ ' ' B' ' 919' ' ' LYS . . . -64.7 -40.82 96.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.935 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 11.5 t -60.41 -40.68 91.87 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.327 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 917' ' ' LEU . 32.3 mt -60.9 -41.8 96.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.184 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -60.27 -39.04 85.43 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.061 -0.655 . . . . 0.0 110.351 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 919' ' ' LYS . . . . . 0.456 ' NZ ' ' HB1' ' B' ' 915' ' ' ALA . 70.4 mmtt -62.43 -42.05 99.17 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.588 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.76 -39.39 84.67 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.9 -40.63 93.82 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.08 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.79 -39.13 93.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.085 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -59.62 -39.66 84.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.57 -43.86 97.76 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.068 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -64.21 -47.26 80.4 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 82.6 t -65.19 -43.99 95.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.461 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -57.92 -48.86 78.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.756 0.312 . . . . 0.0 110.585 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.11 -39.81 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.24 -41.75 98.71 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.75 -44.35 97.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.388 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 62.7 m -61.97 -43.54 98.63 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.97 -39.45 93.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.505 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 933' ' ' ASN . . . . . 0.406 HD21 ' CG ' ' B' ' 902' ' ' GLN . 20.0 t-20 -60.38 -41.62 94.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.189 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -63.52 -44.22 94.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.731 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -61.53 -45.8 92.63 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.431 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.432 ' O ' HG22 ' A' ' 940' ' ' VAL . 90.4 mt -67.89 -36.51 80.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.144 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -56.66 -43.06 79.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -68.38 -40.69 81.31 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.724 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -63.17 -52.1 63.75 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.283 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 940' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 941' ' ' ALA . 16.2 m -67.97 -40.72 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.403 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.491 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -61.28 -40.2 93.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.317 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.63 -46.2 89.34 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.489 -0.485 . . . . 0.0 109.968 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.23 -37.13 83.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.94 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.95 -38.32 64.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.072 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.13 -35.39 73.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.66 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.57 -46.52 89.92 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.037 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 75.3 t -72.0 -42.58 68.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.354 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.31 49.54 0.02 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.636 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 882' ' ' SER . . . . . 0.505 ' N ' ' OD1' ' B' ' 885' ' ' ASN . 97.6 p -74.03 158.81 33.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.921 0.391 . . . . 0.0 110.632 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -66.29 -35.45 80.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -57.63 -21.15 37.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.707 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 885' ' ' ASN . . . . . 0.505 ' OD1' ' N ' ' B' ' 882' ' ' SER . 9.2 m120 -56.17 -29.53 60.94 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.051 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -62.5 -45.45 92.94 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.898 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -67.37 -43.38 81.58 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.516 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.59 -44.53 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.19 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.69 -41.66 87.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.182 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -63.34 -45.75 89.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.542 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.25 -40.22 88.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.865 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 892' ' ' LEU . . . . . 0.656 HD11 ' NZ ' ' B' ' 896' ' ' LYS . 52.1 tp -59.0 -42.68 90.65 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.913 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -64.07 -39.74 94.72 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.254 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 894' ' ' LEU . . . . . 0.479 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.3 mt -63.07 -39.77 95.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.796 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.68 -41.39 92.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.502 . . . . 0.0 110.058 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 896' ' ' LYS . . . . . 0.656 ' NZ ' HD11 ' B' ' 892' ' ' LEU . 61.7 mttp -69.86 -44.86 68.98 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.808 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.7 -49.59 57.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.852 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 898' ' ' ILE . . . . . 0.479 HG22 ' O ' ' B' ' 894' ' ' LEU . 9.8 tp -60.79 -42.01 90.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 899' ' ' GLU . . . . . 0.462 ' N ' HG23 ' B' ' 898' ' ' ILE . 89.2 mt-10 -62.21 -38.41 89.05 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.5 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -61.58 -41.23 97.12 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.186 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.4 mp -66.47 -41.66 88.68 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 902' ' ' GLN . . . . . 0.406 ' CG ' HD21 ' A' ' 933' ' ' ASN . 88.6 mt-30 -63.77 -39.4 94.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.422 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 42.8 mmm-85 -63.03 -42.28 99.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.91 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 62.7 mtt -64.31 -42.24 96.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.406 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 905' ' ' LYS . . . . . 0.483 ' NZ ' ' OE2' ' B' ' 909' ' ' GLU . 13.7 tttp -61.64 -46.51 89.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.167 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.59 -45.26 87.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.764 0.316 . . . . 0.0 111.11 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -65.73 -40.11 91.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -63.13 -45.54 91.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.142 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 909' ' ' GLU . . . . . 0.483 ' OE2' ' NZ ' ' B' ' 905' ' ' LYS . 97.3 mt-10 -65.79 -40.84 92.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.893 0.377 . . . . 0.0 110.251 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.84 -40.4 95.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.521 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 11.0 t -62.67 -42.21 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 0.0 110.507 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.9 mt -63.58 -39.77 95.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.656 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 73.8 m -61.48 -47.81 83.95 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.053 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.18 -44.01 85.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.64 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 915' ' ' ALA . . . . . 0.456 ' HB1' ' NZ ' ' A' ' 919' ' ' LYS . . . -64.8 -40.72 95.69 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.973 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 11.4 t -60.57 -40.55 92.08 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.053 0.454 . . . . 0.0 110.271 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.0 -41.96 97.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.21 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -60.08 -38.9 84.25 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.302 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 919' ' ' LYS . . . . . 0.446 ' NZ ' ' HB1' ' A' ' 915' ' ' ALA . 70.9 mmtt -62.68 -42.21 99.5 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.664 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.61 -39.39 84.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.8 -41.22 95.2 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.105 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.28 -39.66 93.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.04 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -58.82 -39.74 82.08 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.83 -43.88 97.61 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.167 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -63.98 -47.42 80.45 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.77 -44.17 96.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.434 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -58.08 -48.85 78.9 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.632 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.12 -39.87 86.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.416 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.37 -41.55 98.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 930' ' ' LEU . . . . . 0.409 HD12 ' NZ ' ' A' ' 905' ' ' LYS . 6.4 tt -62.05 -44.13 97.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.303 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 58.8 m -61.91 -43.63 98.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.81 -39.43 93.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.561 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 933' ' ' ASN . . . . . 0.424 HD21 ' CG ' ' A' ' 902' ' ' GLN . 20.5 t-20 -60.39 -41.67 94.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.207 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -63.47 -44.33 94.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.651 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -61.15 -45.71 93.5 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.398 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 936' ' ' LEU . . . . . 0.444 ' O ' HG22 ' B' ' 940' ' ' VAL . 93.7 mt -68.07 -36.58 80.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.218 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 937' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -56.75 -42.91 80.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.358 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -68.39 -41.14 80.92 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.602 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -62.74 -52.2 64.17 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.392 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 940' ' ' VAL . . . . . 0.471 HG23 ' N ' ' B' ' 941' ' ' ALA . 16.0 m -67.82 -40.62 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.407 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 941' ' ' ALA . . . . . 0.471 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -61.48 -40.3 94.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.19 -46.32 89.43 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.104 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.5 -37.0 82.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.042 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.94 -38.4 64.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.916 0.388 . . . . 0.0 109.972 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.11 -35.46 73.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.685 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.24 -46.58 89.28 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.046 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.13 -42.69 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.443 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.32 49.22 0.02 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.655 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 78.7 p -62.41 -38.41 89.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.818 0.342 . . . . 0.0 110.477 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -79.96 -18.71 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.533 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -66.67 -20.68 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.747 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -53.79 -29.62 41.08 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -62.36 -45.05 94.94 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 119.586 -0.845 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -65.31 -49.41 69.58 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.09 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.72 -44.77 97.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.069 0.462 . . . . 0.0 110.091 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -66.06 -34.59 78.43 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.866 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.52 -46.44 82.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.508 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.44 -44.11 97.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.336 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 80.3 mt -56.95 -40.0 75.61 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.972 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.74 -38.91 92.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.266 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 894' ' ' LEU . . . . . 0.482 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.2 mt -64.37 -39.31 93.61 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.14 -41.49 94.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 109.947 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.51 -43.94 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.015 0.436 . . . . 0.0 110.806 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -68.56 -48.15 64.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.273 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 898' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 894' ' ' LEU . 10.4 tp -62.94 -41.83 94.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.033 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 899' ' ' GLU . . . . . 0.511 ' OE2' ' NH2' ' A' ' 903' ' ' ARG . 81.2 tt0 -60.41 -39.79 88.65 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.047 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.82 -44.32 97.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.46 -40.94 98.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -59.37 -39.36 83.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.174 0.511 . . . . 0.0 110.366 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 903' ' ' ARG . . . . . 0.511 ' NH2' ' OE2' ' A' ' 899' ' ' GLU . 99.3 mtt180 -73.45 -35.2 65.71 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.62 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 68.6 mmm -61.35 -47.43 85.92 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.1 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 905' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 906' ' ' GLU . 51.1 pttt -69.76 -42.88 73.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.819 0.342 . . . . 0.0 110.673 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 906' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 905' ' ' LYS . 94.9 mt-10 -65.41 -40.3 93.22 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.949 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -69.29 -38.2 78.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.634 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.39 -47.26 82.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.432 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.43 -36.83 82.0 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.334 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.14 -43.06 99.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.409 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 35.9 t -64.29 -41.98 96.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.504 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.01 -40.01 96.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.413 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 79.4 m -59.68 -48.02 83.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.73 -38.34 90.75 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.014 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.54 94.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 47.8 t -60.12 -43.05 95.91 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.851 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.06 -40.73 96.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.55 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -60.48 -42.44 96.28 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 919' ' ' LYS . . . . . 0.552 ' NZ ' ' NZ ' ' B' ' 919' ' ' LYS . 43.4 mmtm -60.8 -41.93 96.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.608 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.14 -38.78 80.51 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.072 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.84 -41.52 95.99 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.256 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.4 -39.13 92.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.045 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.8 -41.18 86.15 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.054 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.73 -42.61 99.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.087 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.06 -47.04 81.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.546 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.43 -44.1 98.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.25 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -56.31 -48.08 77.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.38 -37.86 88.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.126 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.92 -42.09 99.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.088 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.32 -42.62 99.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.586 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 67.6 m -59.14 -43.31 92.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.446 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -65.13 -41.83 94.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.248 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -60.78 -42.15 96.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.233 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -59.97 -44.73 94.28 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.921 0.391 . . . . 0.0 110.325 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -60.61 -44.63 96.07 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.712 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.516 ' O ' HG22 ' A' ' 940' ' ' VAL . 9.2 mp -64.6 -39.32 93.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.384 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 937' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 84.0 mt-10 -55.95 -42.63 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.23 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -66.62 -41.55 88.19 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.481 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.58 -52.76 55.87 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.284 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 940' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 936' ' ' LEU . 18.3 m -66.58 -40.76 87.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.293 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.482 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -57.17 -41.11 78.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.108 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.15 -45.67 93.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.508 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.5 -42.25 95.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.048 0.452 . . . . 0.0 110.82 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 944' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 949' ' ' GLU . 51.7 mtmt -63.93 -39.71 94.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -59.54 -39.12 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.409 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.5 -44.62 95.92 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.606 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.24 -42.38 74.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.534 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.42 43.5 0.03 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 949' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 944' ' ' LYS . 97.1 mt-10 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.623 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 78.1 p -64.14 -38.09 89.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.506 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -80.25 -18.5 49.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.366 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -66.81 -20.88 66.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.724 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.27 -29.51 47.27 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -61.92 -45.22 94.65 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.376 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -65.48 -48.93 70.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.89 0.376 . . . . 0.0 110.241 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 91.8 t -60.65 -44.84 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.248 0.547 . . . . 0.0 110.004 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.89 -34.92 79.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.775 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.43 -46.14 84.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.626 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.05 -43.71 98.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.221 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 79.9 mt -56.8 -40.22 75.56 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.833 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.81 -38.55 91.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 894' ' ' LEU . . . . . 0.48 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.3 mt -65.05 -38.71 91.7 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.694 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.44 -41.43 93.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.166 0.507 . . . . 0.0 109.807 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -71.2 -44.59 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.107 0.479 . . . . 0.0 110.768 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.29 -48.01 66.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.414 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 898' ' ' ILE . . . . . 0.48 HG22 ' O ' ' B' ' 894' ' ' LEU . 10.6 tp -63.11 -41.86 94.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.02 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 899' ' ' GLU . . . . . 0.492 ' OE2' ' NH2' ' B' ' 903' ' ' ARG . 79.8 tt0 -60.05 -40.38 89.22 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.156 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.45 -43.95 97.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.456 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.79 -40.97 97.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -59.36 -39.12 82.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.115 0.483 . . . . 0.0 110.364 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 903' ' ' ARG . . . . . 0.492 ' NH2' ' OE2' ' B' ' 899' ' ' GLU . 99.3 mtt180 -73.69 -35.24 65.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.684 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 69.0 mmm -61.31 -47.22 86.93 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.101 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 905' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' B' ' 906' ' ' GLU . 51.5 pttt -69.74 -43.23 72.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.86 0.362 . . . . 0.0 110.643 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 906' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' B' ' 905' ' ' LYS . 95.2 mt-10 -64.84 -40.36 95.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.008 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -69.36 -38.11 77.94 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -63.71 -47.11 82.46 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.391 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.35 -36.76 82.07 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 26.4 mt -63.18 -43.2 98.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 38.7 t -64.36 -41.67 96.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.503 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.1 -39.96 96.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 74.7 m -59.88 -47.32 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.757 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.3 -38.07 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.115 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.59 93.39 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 25.4 t -60.1 -43.17 95.76 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.59 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -40.41 95.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -60.82 -43.17 98.56 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.652 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 919' ' ' LYS . . . . . 0.552 ' NZ ' ' NZ ' ' A' ' 919' ' ' LYS . 43.4 mmtm -60.16 -42.29 94.63 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.632 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.71 -38.77 79.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.973 0.416 . . . . 0.0 110.085 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -61.04 -41.19 96.11 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.203 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.38 -39.22 92.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.023 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.9 -41.49 87.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.184 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.58 -42.51 98.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.135 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.12 -46.38 84.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.591 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.12 -43.95 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.187 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -56.31 -47.59 78.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.97 -38.1 87.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.282 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.64 -42.16 99.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.004 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.37 -42.91 99.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.741 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 71.1 m -58.85 -43.15 90.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.38 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -65.22 -41.8 94.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.349 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -61.07 -41.69 97.1 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.28 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -59.98 -45.24 93.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.833 0.349 . . . . 0.0 110.297 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -60.25 -44.48 95.23 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.724 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 936' ' ' LEU . . . . . 0.523 ' O ' HG22 ' B' ' 940' ' ' VAL . 9.2 mp -64.92 -38.89 92.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.461 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 937' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 83.0 mt-10 -56.08 -42.78 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.244 0.34 . . . . 0.0 110.244 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.57 -41.5 88.51 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.299 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.5 -52.97 55.12 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.285 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 940' ' ' VAL . . . . . 0.523 HG22 ' O ' ' B' ' 936' ' ' LEU . 19.3 m -66.44 -40.86 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.85 0.357 . . . . 0.0 110.407 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 941' ' ' ALA . . . . . 0.488 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -57.16 -41.05 78.49 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.07 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -60.96 -45.87 93.01 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.333 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.66 -42.77 95.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 944' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' B' ' 949' ' ' GLU . 51.3 mtmt -63.42 -39.51 94.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -59.68 -39.48 84.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.45 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.21 -44.36 96.74 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.606 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 77.9 t -71.42 -42.44 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.561 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.53 43.41 0.03 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 949' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 944' ' ' LYS . 96.2 mt-10 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.579 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 79.1 p -62.84 -35.18 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -67.25 -36.8 82.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.594 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -56.62 -19.99 18.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.777 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -55.8 -30.06 60.74 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.934 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -62.61 -45.45 92.82 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.765 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.9 -47.67 76.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.898 0.38 . . . . 0.0 110.224 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.62 -43.99 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.987 0.423 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -66.58 -37.19 84.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.177 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -63.79 -48.64 76.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.061 0.458 . . . . 0.0 110.61 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.07 -41.14 90.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.937 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 892' ' ' LEU . . . . . 0.516 ' O ' HD13 ' A' ' 892' ' ' LEU . 0.2 OUTLIER -56.53 -42.22 78.09 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.76 -177.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -62.89 -39.54 94.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.774 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 894' ' ' LEU . . . . . 0.461 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.4 mt -63.49 -38.56 91.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.485 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.21 -40.32 93.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.079 0.466 . . . . 0.0 110.069 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.55 -44.78 70.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.293 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.6 -49.46 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.537 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 898' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 894' ' ' LEU . 11.0 tp -62.11 -40.97 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.033 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 899' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 898' ' ' ILE . 82.2 tt0 -60.66 -39.9 90.1 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.144 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.77 -42.81 99.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.372 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.79 -40.94 98.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.358 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -59.95 -40.95 90.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.377 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.33 -37.02 86.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 86.9 mmm -62.02 -43.13 99.48 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.223 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -62.71 -47.54 83.16 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.644 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -66.8 -37.77 85.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -42.4 98.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.535 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -65.55 -43.5 89.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.425 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.98 -39.65 86.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.439 . . . . 0.0 110.255 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.76 -40.39 96.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.011 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 41.0 m -62.96 -38.19 90.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.052 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.01 -41.81 99.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.415 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 65.4 m -61.74 -44.55 96.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.09 -38.07 89.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.329 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.41 93.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.515 ' HA ' ' HZ2' ' B' ' 919' ' ' LYS . 36.7 t -61.71 -42.79 99.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.215 0.531 . . . . 0.0 110.415 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.1 -39.72 91.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.206 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -61.75 -40.31 94.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 919' ' ' LYS . . . . . 0.4 ' HZ2' ' HA ' ' B' ' 916' ' ' SER . 54.0 mtpt -59.69 -44.65 93.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.519 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.3 -38.94 85.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.931 0.396 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -60.09 -40.85 91.0 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.344 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.09 -39.44 94.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.039 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -58.7 -41.82 87.15 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.251 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -62.83 -44.49 96.01 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -67.2 -48.74 66.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.992 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.53 -40.98 91.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.15 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.32 -48.56 80.14 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.005 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.44 -47.38 70.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.799 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 933' ' ' ASN . 9.1 mp -62.66 -37.82 87.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.16 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.95 -43.92 97.83 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.271 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 10.9 t -63.07 -44.62 95.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.708 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.17 -41.21 90.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.493 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 933' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 929' ' ' LEU . 7.9 m-20 -61.94 -41.75 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.024 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -61.39 -44.73 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.395 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -65.75 -44.28 86.37 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.456 -0.497 . . . . 0.0 110.849 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.11 -40.73 94.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.466 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 937' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 78.7 mt-10 -58.66 -43.05 89.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.59 -40.87 96.3 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.721 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.83 -50.88 46.36 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.168 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.59 -45.96 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.487 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -57.62 -41.59 81.62 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.097 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -60.99 -43.07 99.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.241 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 48.2 tp -65.51 -43.58 89.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.7 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.08 -39.01 93.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.011 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.4 -35.92 68.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.68 -43.63 98.49 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.585 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 68.4 t -70.88 -42.5 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.369 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 157.33 21.7 0.03 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.5 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 77.8 p -62.7 -35.8 80.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.673 0.273 . . . . 0.0 110.639 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -66.59 -36.14 81.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.508 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -56.88 -19.82 19.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.757 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -55.83 -30.54 61.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.779 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -62.44 -45.05 94.81 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.858 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -65.17 -47.36 77.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.955 0.407 . . . . 0.0 110.199 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.05 -43.65 97.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.711 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -67.12 -37.87 84.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.2 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.08 -48.82 76.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.089 0.471 . . . . 0.0 110.485 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.92 -41.33 90.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.901 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 892' ' ' LEU . . . . . 0.525 HD13 ' O ' ' B' ' 892' ' ' LEU . 0.2 OUTLIER -56.22 -42.06 76.65 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.767 -177.852 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -63.05 -40.2 97.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.753 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 894' ' ' LEU . . . . . 0.456 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.6 mt -62.98 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.354 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.59 -40.02 93.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.04 0.448 . . . . 0.0 110.016 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -70.06 -44.12 69.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.962 0.411 . . . . 0.0 111.292 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.42 -49.58 53.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.432 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 898' ' ' ILE . . . . . 0.46 HG23 ' N ' ' B' ' 899' ' ' GLU . 11.0 tp -61.39 -41.36 89.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.998 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 899' ' ' GLU . . . . . 0.46 ' N ' HG23 ' B' ' 898' ' ' ILE . 82.4 tt0 -60.39 -40.07 89.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.266 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.89 -42.46 99.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.74 -40.85 98.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.221 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.1 -41.26 92.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.537 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 903' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' B' ' 907' ' ' ARG . 98.0 mtt180 -63.97 -36.72 84.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.551 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 86.8 mmm -62.29 -43.07 99.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.412 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -62.92 -47.13 84.57 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.597 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.95 -37.82 84.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.654 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 907' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 1.0 OUTLIER -61.08 -42.94 99.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.534 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -65.37 -42.87 92.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.411 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.2 -39.8 87.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.173 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 63.5 mt -63.7 -40.42 96.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.057 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 37.8 m -63.07 -37.93 89.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.44 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.19 -41.4 99.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.338 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 72.4 m -62.02 -44.86 95.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.61 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.91 -38.78 92.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.381 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.19 93.46 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.58 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 916' ' ' SER . . . . . 0.4 ' HA ' ' HZ2' ' A' ' 919' ' ' LYS . 39.9 t -61.44 -43.09 99.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.215 0.531 . . . . 0.0 110.453 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 27.7 mt -61.23 -39.51 90.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.282 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -61.89 -39.53 92.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 919' ' ' LYS . . . . . 0.515 ' HZ2' ' HA ' ' A' ' 916' ' ' SER . 54.7 mtpt -60.19 -44.76 94.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.401 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.25 -38.4 83.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.921 0.391 . . . . 0.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.38 -40.67 91.69 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.449 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.45 -38.49 91.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.904 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -59.35 -42.43 91.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.171 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -62.58 -44.63 95.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -66.85 -49.1 66.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.048 0.452 . . . . 0.0 111.075 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.35 -41.1 91.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.192 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.97 -48.58 79.56 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.969 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.47 -47.54 69.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.86 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 929' ' ' LEU . . . . . 0.43 ' O ' ' OD1' ' B' ' 933' ' ' ASN . 9.2 mp -62.44 -37.9 87.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.142 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.02 -43.77 98.13 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.193 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 11.2 t -63.44 -44.57 94.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.09 -40.96 91.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.412 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 933' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' B' ' 929' ' ' LEU . 8.1 m-20 -62.22 -42.01 98.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.048 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.29 -44.43 97.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -65.92 -44.3 85.54 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.944 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 69.8 mt -65.21 -40.49 94.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.404 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 937' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 81.7 mt-10 -58.71 -43.29 90.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.36 -41.01 96.94 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.588 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.17 -51.04 50.26 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.261 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.58 -46.47 86.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 941' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -57.29 -41.48 79.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.055 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -61.06 -42.6 98.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.04 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 47.3 tp -66.07 -43.55 87.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -64.04 -38.51 91.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.011 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -57.07 -35.67 69.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.469 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.04 -43.8 98.06 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.469 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.81 -42.55 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.533 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 157.5 22.07 0.03 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.568 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 881' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 883' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 2.6 p 66.01 -1.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.628 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 883' ' ' HIS . . . . . 0.416 ' H ' ' C ' ' A' ' 881' ' ' GLY . 96.3 m-70 -78.3 -13.32 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.505 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -66.61 -21.18 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.803 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -55.36 -29.28 58.1 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.734 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -62.27 -45.43 93.33 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.453 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.485 ' O ' HD13 ' A' ' 891' ' ' ILE . 49.2 mt-30 -66.13 -46.74 76.44 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.505 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 83.8 t -62.9 -46.41 96.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.24 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.74 -40.25 88.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.069 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.15 -42.18 89.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.795 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 891' ' ' ILE . . . . . 0.485 HD13 ' O ' ' A' ' 887' ' ' GLN . 1.3 mp -62.43 -42.16 94.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.4 -41.48 93.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.13 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.25 -38.56 91.63 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.091 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.07 -40.33 96.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.9 -41.14 95.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.79 -42.91 97.65 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.559 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.2 -47.97 63.36 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 29.7 mm -63.95 -43.78 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.77 -39.17 87.81 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.122 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.64 -43.63 98.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.468 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.396 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -57.89 -46.44 84.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.85 0.357 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.19 -37.69 84.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.99 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 84.2 mmm -61.77 -44.87 96.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.967 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 905' ' ' LYS . . . . . 0.408 ' HZ3' ' HB3' ' B' ' 933' ' ' ASN . 52.4 mtmt -65.41 -45.25 84.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.796 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 906' ' ' GLU . . . . . 0.538 ' O ' HD13 ' A' ' 910' ' ' LEU . 80.8 mm-40 -66.7 -45.82 77.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.023 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.04 -38.21 85.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -63.89 -43.83 94.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.874 0.369 . . . . 0.0 110.496 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.471 ' OE2' HG11 ' B' ' 926' ' ' VAL . 77.8 mm-40 -62.91 -38.41 90.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.275 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 910' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 906' ' ' GLU . 8.4 mp -63.8 -41.24 97.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.268 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 10.3 t -62.39 -40.43 96.46 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.635 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.86 -40.66 98.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.019 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -61.71 -45.78 92.48 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.025 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 914' ' ' GLU . . . . . 0.487 ' OE2' ' O ' ' A' ' 910' ' ' LEU . 1.1 mp0 -65.94 -45.01 83.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.55 -41.21 96.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.704 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.415 ' O ' HD13 ' A' ' 920' ' ' LEU . 50.3 m -60.58 -39.23 87.28 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.203 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.78 -42.31 98.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.072 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -58.66 -42.72 89.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.622 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -61.07 -41.88 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.585 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 920' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 916' ' ' SER . 7.9 mp -60.11 -38.63 83.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -60.77 -40.95 94.45 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.102 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.05 -38.32 90.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.51 -41.74 90.63 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.251 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.69 -41.8 99.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.217 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -62.39 -47.24 85.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.466 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 926' ' ' VAL . . . . . 0.465 HG11 ' OE2' ' B' ' 909' ' ' GLU . 97.7 t -65.44 -44.54 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.096 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.73 -48.61 81.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.232 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.89 -42.72 94.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.975 0.417 . . . . 0.0 110.636 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.463 ' O ' ' ND2' ' A' ' 933' ' ' ASN . 38.5 mt -63.54 -39.23 93.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.575 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.63 -42.15 98.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.215 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 14.9 p -61.55 -44.59 96.76 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.058 0.456 . . . . 0.0 110.968 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.35 -42.95 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 933' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 929' ' ' LEU . 62.8 m-80 -60.7 -39.96 90.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.838 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.91 -40.92 90.47 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.08 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 935' ' ' HIS . . . . . 0.521 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 80.1 t60 -59.94 -46.01 90.78 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.164 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 936' ' ' LEU . 4.1 mm? -69.3 -34.36 74.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.244 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 937' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 80.2 tt0 -61.1 -45.0 96.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.582 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -66.26 -42.09 88.99 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.272 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 939' ' ' GLU . . . . . 0.521 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 99.0 mt-10 -66.82 -51.11 59.46 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.239 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 940' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 936' ' ' LEU . 68.0 t -66.51 -45.53 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.617 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -58.22 -37.25 74.47 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.38 -44.72 96.68 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.499 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 943' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 943' ' ' LEU . 30.9 mt -66.15 -40.44 90.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.069 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -60.45 -37.94 82.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.724 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -53.29 -32.92 51.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.388 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 54.4 mt -60.78 -49.1 78.84 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.179 -0.609 . . . . 0.0 110.162 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 75.6 t -74.26 -42.38 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.035 0.445 . . . . 0.0 110.435 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . -176.67 -71.04 0.06 OUTLIER Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.601 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 881' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' B' ' 883' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 1.8 p 65.75 -0.76 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.661 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 883' ' ' HIS . . . . . 0.42 ' H ' ' C ' ' B' ' 881' ' ' GLY . 95.6 m-70 -78.89 -12.59 60.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.608 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -67.36 -21.13 65.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -55.37 -29.19 57.95 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.671 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -62.39 -45.23 94.06 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.621 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 887' ' ' GLN . . . . . 0.51 ' O ' HD13 ' B' ' 891' ' ' ILE . 49.9 mt-30 -66.5 -46.14 77.25 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.482 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.19 -46.37 96.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.215 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.95 -40.47 87.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.05 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.19 -41.97 89.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.853 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 891' ' ' ILE . . . . . 0.51 HD13 ' O ' ' B' ' 887' ' ' GLN . 1.3 mp -62.45 -42.25 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 66.7 mt -60.48 -41.6 94.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.229 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.23 -38.22 90.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.103 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.31 -39.98 95.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.17 -41.33 96.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.853 0.358 . . . . 0.0 110.064 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.7 -42.93 97.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.619 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.24 -47.81 63.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.179 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 29.7 mm -64.01 -43.71 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.9 -39.26 88.66 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.12 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.67 -43.57 98.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.4 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.26 -40.41 97.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.416 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -57.87 -46.44 84.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.944 0.402 . . . . 0.0 110.546 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.7 -38.18 86.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.069 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.59 -44.82 96.3 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.929 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -65.47 -45.28 84.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 906' ' ' GLU . . . . . 0.544 ' O ' HD13 ' B' ' 910' ' ' LEU . 80.7 mm-40 -66.72 -45.75 77.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.066 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -60.91 -38.21 84.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.511 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -64.22 -43.32 95.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.344 . . . . 0.0 110.535 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 909' ' ' GLU . . . . . 0.465 ' OE2' HG11 ' A' ' 926' ' ' VAL . 78.0 mm-40 -63.02 -38.53 91.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.281 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 910' ' ' LEU . . . . . 0.544 HD13 ' O ' ' B' ' 906' ' ' GLU . 8.5 mp -63.9 -41.17 97.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.229 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 9.3 t -62.24 -40.54 96.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.636 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.8 -40.84 98.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.104 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 77.4 m -61.68 -45.83 92.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.029 0.442 . . . . 0.0 110.172 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 914' ' ' GLU . . . . . 0.486 ' OE2' ' O ' ' B' ' 910' ' ' LEU . 1.1 mp0 -65.84 -45.08 83.56 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.27 96.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.683 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 916' ' ' SER . . . . . 0.409 ' O ' HD13 ' B' ' 920' ' ' LEU . 49.1 m -60.63 -39.39 88.09 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.288 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.61 -42.22 98.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.103 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -58.87 -42.33 89.17 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.575 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -61.35 -42.08 98.11 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.5 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 920' ' ' LEU . . . . . 0.409 HD13 ' O ' ' B' ' 916' ' ' SER . 8.0 mp -60.05 -38.71 83.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.77 -41.01 94.67 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.094 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.11 -38.41 91.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.805 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.14 -41.74 89.03 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.269 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -62.65 -41.69 99.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.186 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -62.58 -47.21 84.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.476 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 926' ' ' VAL . . . . . 0.471 HG11 ' OE2' ' A' ' 909' ' ' GLU . 96.3 t -65.53 -44.59 93.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.079 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -60.68 -48.71 80.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.9 -42.8 94.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.974 0.416 . . . . 0.0 110.704 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 929' ' ' LEU . . . . . 0.49 ' O ' ' ND2' ' B' ' 933' ' ' ASN . 38.7 mt -63.45 -39.27 94.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.6 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.61 -42.11 98.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.197 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 13.8 p -61.56 -44.52 96.88 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.053 0.454 . . . . 0.0 111.005 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.42 -42.99 91.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.527 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 933' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 929' ' ' LEU . 63.1 m-80 -60.62 -39.78 89.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.814 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.91 -41.0 90.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.127 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 935' ' ' HIS . . . . . 0.515 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 82.0 t60 -60.04 -45.82 91.57 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.149 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 936' ' ' LEU . . . . . 0.433 HD22 ' N ' ' B' ' 936' ' ' LEU . 4.2 mm? -69.18 -34.33 74.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.235 178.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 937' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 80.5 tt0 -61.22 -45.11 95.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.15 -42.13 89.48 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.201 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 939' ' ' GLU . . . . . 0.515 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.9 mt-10 -66.91 -51.25 57.63 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.379 -0.529 . . . . 0.0 111.177 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 940' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 936' ' ' LEU . 76.5 t -66.31 -45.35 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.659 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 941' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -58.48 -37.05 74.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -61.32 -44.76 96.67 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 33.4 mt -66.42 -40.24 89.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.064 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -60.31 -38.03 82.42 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.657 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -53.46 -33.1 52.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.68 -49.2 78.45 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.265 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 75.1 t -74.12 -42.38 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.105 0.479 . . . . 0.0 110.493 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . -176.68 -71.06 0.06 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.572 -179.933 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 46.7 t -60.82 -43.32 98.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 110.64 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 883' ' ' HIS . . . . . 0.499 ' CE1' ' NZ ' ' A' ' 886' ' ' LYS . 78.0 t60 -64.61 -39.31 93.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.571 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -59.36 -20.19 52.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -55.17 -29.47 57.88 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.865 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 886' ' ' LYS . . . . . 0.499 ' NZ ' ' CE1' ' A' ' 883' ' ' HIS . 88.3 mttt -63.04 -45.48 92.09 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.674 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.49 -45.94 81.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.397 . . . . 0.0 110.233 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.91 -43.83 96.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -66.41 -38.28 87.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.087 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -63.19 -47.22 83.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.968 0.413 . . . . 0.0 110.586 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.18 -41.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.266 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 40.4 mt -57.96 -41.4 82.79 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.151 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -63.26 -38.35 90.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.944 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.64 -37.93 89.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.56 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 895' ' ' GLU . . . . . 0.571 ' HA ' ' HZ1' ' B' ' 944' ' ' LYS . 97.5 mt-10 -61.93 -40.14 94.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -63.46 -43.98 95.81 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.311 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -68.12 -42.18 80.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 5.0 mm -64.24 -44.0 97.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.745 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -60.07 -39.6 86.61 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.991 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 900' ' ' ASP . . . . . 0.406 ' HA ' ' HE ' ' A' ' 903' ' ' ARG . 68.3 t0 -62.14 -43.52 98.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.84 -41.48 99.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.539 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 902' ' ' GLN . . . . . 0.546 ' NE2' ' OE2' ' B' ' 937' ' ' GLU . 95.2 mm-40 -60.23 -47.21 86.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 903' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 907' ' ' ARG . 90.9 mtm180 -66.62 -39.39 88.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.508 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 84.7 mmm -63.83 -44.24 93.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.67 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 905' ' ' LYS . . . . . 0.466 ' NZ ' ' CD1' ' B' ' 930' ' ' LEU . 28.0 tttt -65.0 -47.71 76.54 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.795 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -67.27 -38.94 85.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.056 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 907' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 903' ' ' ARG . 13.6 mmm180 -60.71 -43.52 97.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.86 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 908' ' ' GLN . . . . . 0.458 ' OE1' HD12 ' B' ' 922' ' ' LEU . 97.6 mm-40 -64.96 -43.89 91.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.898 0.38 . . . . 0.0 110.604 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.39 -39.35 86.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.234 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.52 -38.71 92.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.316 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 67.6 m -61.54 -41.34 97.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.506 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.96 -41.63 99.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 70.6 m -60.32 -46.4 90.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.0 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.85 -38.01 89.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.303 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.21 94.81 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 916' ' ' SER . . . . . 0.534 ' CA ' ' HZ2' ' B' ' 919' ' ' LYS . 42.1 t -63.1 -45.44 92.06 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.687 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -41.94 98.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.724 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -59.35 -41.69 89.78 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.173 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 919' ' ' LYS . . . . . 0.539 ' HZ2' ' CA ' ' B' ' 916' ' ' SER . 55.1 mtpt -60.1 -41.28 92.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.526 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.29 -38.56 83.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.29 -41.77 94.07 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.107 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 922' ' ' LEU . . . . . 0.494 HD12 ' OE1' ' B' ' 908' ' ' GLN . 4.1 mm? -62.27 -38.91 91.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.147 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.07 -39.52 82.35 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.514 -0.475 . . . . 0.0 110.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.09 -44.54 95.43 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.243 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.85 -46.4 78.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.903 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.11 -41.87 92.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.355 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -57.8 -48.95 78.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.969 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -68.58 -44.53 74.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.76 -40.48 97.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 930' ' ' LEU . . . . . 0.451 ' CD1' ' NZ ' ' B' ' 905' ' ' LYS . 5.8 tt -62.43 -43.9 97.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.165 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 67.3 m -63.62 -44.38 94.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.963 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.71 -43.72 88.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.394 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -59.91 -41.15 91.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.905 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 934' ' ' TYR . . . . . 0.484 ' CE2' ' ND2' ' A' ' 938' ' ' ASN . 90.7 t80 -60.36 -42.24 95.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.274 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 935' ' ' HIS . . . . . 0.513 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 86.8 t60 -65.47 -45.54 83.31 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.162 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 940' ' ' VAL . 10.4 mp -65.22 -37.77 88.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.282 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 937' ' ' GLU . . . . . 0.541 ' OE2' ' NE2' ' B' ' 902' ' ' GLN . 75.3 mt-10 -63.06 -44.49 95.67 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.769 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 938' ' ' ASN . . . . . 0.484 ' ND2' ' CE2' ' A' ' 934' ' ' TYR . 92.7 m-20 -62.91 -43.39 98.92 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.222 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 939' ' ' GLU . . . . . 0.513 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 98.8 mt-10 -72.01 -50.9 24.78 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.271 -0.572 . . . . 0.0 111.572 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 940' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 936' ' ' LEU . 95.8 t -64.57 -46.3 93.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.33 -36.42 75.63 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.22 -46.64 89.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.49 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.05 -34.28 73.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 944' ' ' LYS . . . . . 0.569 ' HZ1' ' HA ' ' B' ' 895' ' ' GLU . 3.4 tppt? -57.47 -36.84 71.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.244 -178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.9 -35.73 75.48 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.904 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.12 -50.78 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.466 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 86.4 t -80.32 -42.78 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.03 0.443 . . . . 0.0 110.8 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 165.54 106.97 0.2 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.612 -179.9 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 47.2 t -60.52 -43.55 96.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 110.533 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 883' ' ' HIS . . . . . 0.5 ' CE1' ' NZ ' ' B' ' 886' ' ' LYS . 75.2 t60 -64.69 -39.39 93.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.486 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -59.33 -20.24 52.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -55.06 -29.5 57.62 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.976 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 886' ' ' LYS . . . . . 0.5 ' NZ ' ' CE1' ' B' ' 883' ' ' HIS . 87.3 mttt -62.77 -45.32 93.23 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.625 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -65.53 -46.0 81.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 110.352 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.94 -43.69 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -66.33 -38.61 88.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -63.05 -47.36 83.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.957 0.408 . . . . 0.0 110.545 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.13 -41.98 93.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.227 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 39.6 mt -58.01 -41.44 83.12 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.012 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -63.27 -38.26 90.46 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.977 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 894' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 894' ' ' LEU . 95.1 mt -63.51 -38.26 90.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.532 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 895' ' ' GLU . . . . . 0.569 ' HA ' ' HZ1' ' A' ' 944' ' ' LYS . 96.3 mt-10 -61.8 -40.24 94.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -63.32 -43.84 96.64 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.231 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.28 -42.11 80.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.25 -44.03 97.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.03 -39.93 87.59 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.274 -0.571 . . . . 0.0 110.009 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 900' ' ' ASP . . . . . 0.412 ' HA ' ' HE ' ' B' ' 903' ' ' ARG . 65.1 t0 -61.83 -43.45 98.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.594 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.04 -41.47 99.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.627 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 902' ' ' GLN . . . . . 0.541 ' NE2' ' OE2' ' A' ' 937' ' ' GLU . 94.8 mm-40 -60.16 -46.74 88.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 903' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' B' ' 907' ' ' ARG . 90.7 mtm180 -66.9 -39.55 87.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.49 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 84.0 mmm -63.62 -44.41 94.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.708 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 905' ' ' LYS . . . . . 0.451 ' NZ ' ' CD1' ' A' ' 930' ' ' LEU . 28.5 tttt -65.04 -47.81 76.07 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.883 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -67.15 -38.81 86.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 907' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 13.5 mmm180 -60.7 -43.88 97.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.874 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 908' ' ' GLN . . . . . 0.494 ' OE1' HD12 ' A' ' 922' ' ' LEU . 98.2 mm-40 -64.67 -43.57 93.15 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.606 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.56 -39.18 87.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.192 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.67 -38.77 92.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.151 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 73.6 m -61.47 -41.45 97.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.425 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.91 -41.62 99.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 74.2 m -60.43 -46.46 89.96 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.97 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.72 -37.89 89.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.249 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.12 95.09 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 916' ' ' SER . . . . . 0.539 ' CA ' ' HZ2' ' A' ' 919' ' ' LYS . 38.5 t -63.35 -45.16 92.47 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.66 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -42.07 98.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.707 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -59.39 -41.48 89.48 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.128 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 919' ' ' LYS . . . . . 0.534 ' HZ2' ' CA ' ' A' ' 916' ' ' SER . 55.4 mtpt -60.15 -41.57 93.04 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.634 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.08 -38.5 83.09 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.32 -41.81 94.29 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.161 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 922' ' ' LEU . . . . . 0.458 HD12 ' OE1' ' A' ' 908' ' ' GLN . 4.1 mm? -62.22 -38.89 90.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.183 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.02 -39.66 82.59 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.041 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.97 -44.4 96.15 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.288 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.86 -46.31 78.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.32 -42.01 92.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.372 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -57.67 -48.87 78.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.988 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -68.73 -44.35 74.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.96 -40.4 97.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.354 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 930' ' ' LEU . . . . . 0.466 ' CD1' ' NZ ' ' A' ' 905' ' ' LYS . 5.9 tt -62.49 -43.76 98.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.192 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 68.1 m -63.64 -44.45 93.83 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.868 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.02 -43.71 86.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.421 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -60.08 -40.82 90.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 934' ' ' TYR . . . . . 0.496 ' CE2' ' ND2' ' B' ' 938' ' ' ASN . 90.8 t80 -60.67 -42.59 97.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.319 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 935' ' ' HIS . . . . . 0.522 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 86.6 t60 -65.34 -45.46 84.12 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.037 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 936' ' ' LEU . . . . . 0.461 ' O ' HG23 ' B' ' 940' ' ' VAL . 10.5 mp -65.16 -37.44 87.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.291 179.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 937' ' ' GLU . . . . . 0.546 ' OE2' ' NE2' ' A' ' 902' ' ' GLN . 73.7 mt-10 -63.29 -44.46 94.97 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 938' ' ' ASN . . . . . 0.496 ' ND2' ' CE2' ' B' ' 934' ' ' TYR . 93.3 m-20 -63.01 -43.45 98.74 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.336 -0.546 . . . . 0.0 111.174 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 939' ' ' GLU . . . . . 0.522 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.9 mt-10 -71.85 -50.8 26.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.534 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 940' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 936' ' ' LEU . 91.7 t -64.64 -46.22 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.858 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 941' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.57 -36.04 75.43 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -60.19 -46.75 88.66 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.528 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.98 -35.05 74.14 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.845 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 944' ' ' LYS . . . . . 0.571 ' HZ1' ' HA ' ' A' ' 895' ' ' GLU . 3.4 tppt? -56.53 -36.77 69.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.239 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.1 -36.06 76.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.923 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 62.3 mt -58.14 -50.52 73.22 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.334 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.31 -42.82 21.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.055 0.455 . . . . 0.0 110.827 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 165.17 107.13 0.2 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.656 -179.916 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 56.1 m -60.37 -43.27 96.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 110.598 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -67.73 -37.84 82.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.641 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -55.8 -20.17 14.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.824 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -53.86 -29.89 43.26 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -63.2 -45.26 92.58 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.778 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -64.3 -49.54 71.39 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 86.3 t -61.29 -47.36 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.241 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.92 -31.86 73.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.939 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -64.12 -45.3 89.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.33 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.73 -42.75 95.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.939 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.37 -39.6 80.04 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.272 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.75 -39.06 92.96 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.461 -0.495 . . . . 0.0 109.919 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 894' ' ' LEU . . . . . 0.498 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.2 mt -62.95 -37.8 88.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.482 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 895' ' ' GLU . . . . . 0.472 ' HA ' ' HZ1' ' B' ' 944' ' ' LYS . 97.5 mt-10 -63.16 -44.96 94.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.915 0.388 . . . . 0.0 110.366 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -68.16 -43.92 77.14 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -70.22 -51.04 33.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.382 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 898' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 894' ' ' LEU . 9.6 tp -59.9 -40.69 83.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.974 0.416 . . . . 0.0 110.044 -179.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 899' ' ' GLU . . . . . 0.524 ' CG ' ' NH1' ' A' ' 903' ' ' ARG . 81.0 tt0 -62.99 -38.76 92.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.252 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.56 -44.07 97.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.87 -40.48 96.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -58.49 -48.09 81.94 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.647 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 903' ' ' ARG . . . . . 0.524 ' NH1' ' CG ' ' A' ' 899' ' ' GLU . 59.3 mtt85 -64.99 -41.04 95.76 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.08 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 92.0 mtp -64.74 -46.63 81.39 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.19 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.13 -44.55 79.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.051 0.453 . . . . 0.0 110.575 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.49 -43.23 85.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 907' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 903' ' ' ARG . 20.5 mmt85 -63.07 -40.59 98.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -61.39 -45.96 92.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.334 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 909' ' ' GLU . . . . . 0.528 ' OE2' HD22 ' B' ' 930' ' ' LEU . 98.3 mt-10 -60.15 -39.15 85.34 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.571 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.67 -40.02 95.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.514 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 71.0 m -61.76 -41.58 97.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.68 -38.84 92.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 74.2 m -59.93 -45.11 93.67 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.076 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.72 -44.25 86.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.698 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.74 96.6 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 63.6 m -60.34 -40.34 90.33 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.373 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 917' ' ' LEU . 34.6 mt -61.6 -42.35 98.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.37 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -58.8 -42.29 88.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.195 0.521 . . . . 0.0 110.582 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -60.99 -42.66 98.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.621 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 7.7 mp -59.81 -38.02 80.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.976 0.417 . . . . 0.0 110.16 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.92 -42.87 98.97 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.493 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.28 -37.27 86.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.975 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.6 -38.63 85.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.093 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -66.35 -40.3 89.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.327 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 925' ' ' LYS . . . . . 0.497 ' O ' HD13 ' A' ' 929' ' ' LEU . 88.8 tttt -65.14 -52.07 57.41 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.482 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.6 -38.09 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.08 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -56.76 -44.76 82.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.249 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -63.72 -38.47 91.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.97 0.415 . . . . 0.0 110.297 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 929' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 925' ' ' LYS . 7.0 mp -63.01 -41.15 99.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.097 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 930' ' ' LEU . . . . . 0.544 HD22 ' OE2' ' B' ' 909' ' ' GLU . 41.7 tp -61.99 -42.51 99.23 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.135 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 72.6 p -58.8 -42.8 89.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.48 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.51 -38.72 91.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.984 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.57 -41.32 89.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.974 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.05 -46.13 91.96 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.181 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 935' ' ' HIS . . . . . 0.523 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 86.3 t60 -65.58 -43.91 88.28 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.66 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.19 -39.37 93.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.374 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 937' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 41.3 mm-40 -59.82 -41.5 91.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.169 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.19 -41.79 96.95 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.672 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 939' ' ' GLU . . . . . 0.523 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 98.4 mt-10 -68.63 -50.54 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.72 -44.54 93.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.443 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.55 -37.95 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.885 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.26 -46.48 90.19 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.264 -0.575 . . . . 0.0 109.648 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 89.2 mt -70.0 -33.59 72.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.715 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 944' ' ' LYS . . . . . 0.483 ' HZ1' ' HA ' ' B' ' 895' ' ' GLU . 2.8 tppt? -58.19 -37.25 74.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.41 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.88 -34.62 74.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.76 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.65 -45.39 92.15 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.468 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 98.4 t -88.64 -42.04 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 0.0 110.62 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 167.97 107.14 0.2 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.577 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 56.4 m -60.07 -43.19 95.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.487 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -67.76 -37.77 82.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -55.92 -19.91 13.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -54.23 -29.93 48.28 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.77 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -63.08 -45.25 93.01 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.689 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -64.44 -49.46 71.37 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.037 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 85.5 t -61.29 -47.23 94.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.121 0.486 . . . . 0.0 110.187 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.96 -31.6 72.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.93 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -64.32 -45.65 86.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.341 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.46 -42.74 95.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.855 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.36 -39.65 80.13 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.284 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.58 -38.73 91.27 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.101 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 894' ' ' LEU . . . . . 0.492 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.2 mt -63.51 -38.18 90.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.52 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 895' ' ' GLU . . . . . 0.483 ' HA ' ' HZ1' ' A' ' 944' ' ' LYS . 96.3 mt-10 -62.71 -45.02 94.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.903 0.383 . . . . 0.0 110.336 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -67.95 -44.02 77.71 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.35 -51.24 31.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.37 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 898' ' ' ILE . . . . . 0.492 HG22 ' O ' ' B' ' 894' ' ' LEU . 9.6 tp -59.55 -40.54 82.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.046 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 899' ' ' GLU . . . . . 0.523 ' CG ' ' NH1' ' B' ' 903' ' ' ARG . 81.4 tt0 -63.3 -38.33 90.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.191 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.87 -43.98 97.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.87 -40.71 97.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.616 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -58.42 -48.11 81.74 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.684 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 903' ' ' ARG . . . . . 0.523 ' NH1' ' CG ' ' B' ' 899' ' ' GLU . 58.3 mtt85 -64.97 -40.9 95.68 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.119 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 91.4 mtp -64.82 -46.6 81.29 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.167 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -67.08 -44.55 79.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 110.725 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.39 -43.18 86.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 907' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 21.0 mmt85 -62.97 -40.48 97.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -61.62 -46.09 91.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.428 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 909' ' ' GLU . . . . . 0.544 ' OE2' HD22 ' A' ' 930' ' ' LEU . 99.3 mt-10 -59.95 -38.79 83.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.988 0.423 . . . . 0.0 110.559 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.8 -40.3 96.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.556 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 74.1 m -61.72 -41.54 97.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.337 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.92 -39.03 93.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.295 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 71.8 m -59.7 -45.01 93.42 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.994 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.82 -44.63 85.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.55 97.45 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.932 0.396 . . . . 0.0 110.694 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 70.3 m -60.56 -40.63 92.33 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.458 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 917' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 917' ' ' LEU . 34.1 mt -61.5 -42.15 98.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -59.03 -42.37 90.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.138 0.494 . . . . 0.0 110.489 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -60.71 -42.83 98.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.638 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 7.8 mp -59.81 -37.95 80.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.141 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.85 -43.08 98.81 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.493 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.03 -36.77 84.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.101 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.08 -38.9 87.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.216 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -66.23 -39.82 89.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.399 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 925' ' ' LYS . . . . . 0.484 ' O ' HD13 ' B' ' 929' ' ' LEU . 88.9 tttt -65.45 -51.98 56.37 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.502 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 926' ' ' VAL . . . . . 0.402 HG13 ' N ' ' B' ' 927' ' ' GLU . 8.3 p -66.95 -37.81 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.089 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 927' ' ' GLU . . . . . 0.402 ' N ' HG13 ' B' ' 926' ' ' VAL . 33.9 tp10 -56.99 -44.32 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -64.05 -38.68 91.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.338 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 929' ' ' LEU . . . . . 0.484 HD13 ' O ' ' B' ' 925' ' ' LYS . 7.0 mp -62.93 -41.18 99.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.198 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 930' ' ' LEU . . . . . 0.528 HD22 ' OE2' ' A' ' 909' ' ' GLU . 42.8 tp -61.9 -42.56 99.22 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.043 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 63.1 p -58.88 -42.61 89.93 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.13 0.491 . . . . 0.0 110.385 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.66 -38.82 91.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.046 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -59.57 -41.15 89.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.011 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.05 -46.12 91.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.105 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 935' ' ' HIS . . . . . 0.513 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 86.3 t60 -65.47 -44.04 88.4 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.78 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.21 -39.5 94.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.281 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 937' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 41.1 mm-40 -59.43 -41.68 90.16 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.284 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -63.92 -41.93 97.53 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.723 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 939' ' ' GLU . . . . . 0.513 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.5 mt-10 -68.48 -50.44 52.34 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.984 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.07 -44.6 91.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.445 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 941' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.13 -38.3 79.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.774 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.25 -46.42 90.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.733 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.01 -33.22 71.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.821 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 944' ' ' LYS . . . . . 0.472 ' HZ1' ' HA ' ' A' ' 895' ' ' GLU . 2.7 tppt? -58.56 -37.29 75.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.297 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -60.93 -34.1 74.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.776 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.22 -44.08 95.46 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.392 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 98.3 t -90.22 -41.85 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.543 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 168.06 107.12 0.2 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.523 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 23.2 m -72.05 146.68 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.716 0.293 . . . . 0.0 110.377 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -79.6 -18.68 51.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.65 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -69.64 -20.89 63.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.983 0.421 . . . . 0.0 110.715 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -54.49 -28.8 47.49 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.717 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -62.03 -45.25 94.4 Favored 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.565 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.47 -46.17 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.05 0.452 . . . . 0.0 110.321 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.99 -44.42 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.277 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -67.23 -41.62 85.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.595 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -65.07 -49.61 69.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.033 0.444 . . . . 0.0 110.819 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.44 -41.76 93.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.053 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 57.4 tp -55.81 -42.76 76.12 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.13 -39.86 94.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.5 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 894' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 898' ' ' ILE . 95.8 mt -63.0 -39.79 95.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.938 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.99 -41.54 90.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.175 0.512 . . . . 0.0 110.223 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.22 -45.1 67.25 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.829 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.59 -48.86 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.713 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 898' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 894' ' ' LEU . 10.2 tp -61.49 -42.18 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.118 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 899' ' ' GLU . . . . . 0.471 ' N ' HG23 ' A' ' 898' ' ' ILE . 87.4 mt-10 -61.87 -38.6 88.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.846 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.37 -43.89 98.09 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.374 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.02 -41.33 86.82 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.902 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -62.45 -39.39 93.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.347 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 903' ' ' ARG . . . . . 0.686 ' NH2' HH21 ' A' ' 907' ' ' ARG . 16.8 mmm180 -62.95 -45.48 92.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 91.3 mtp -65.68 -41.82 92.0 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.681 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -61.15 -45.96 92.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.508 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.45 -40.09 92.8 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.897 0.379 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 907' ' ' ARG . . . . . 0.686 HH21 ' NH2' ' A' ' 903' ' ' ARG . 95.1 mtt-85 -69.34 -39.28 78.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.335 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 908' ' ' GLN . . . . . 0.485 ' O ' HD13 ' A' ' 912' ' ' LEU . 74.5 mm-40 -63.23 -48.61 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.089 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -68.39 -36.51 79.26 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.098 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.79 -43.02 99.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.334 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 70.3 m -62.33 -42.59 99.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.274 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 912' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 908' ' ' GLN . 7.3 mp -63.62 -37.67 88.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.354 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -60.52 -47.18 87.27 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.074 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.19 -45.65 80.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 915' ' ' ALA . . . . . 0.477 ' HB1' ' NZ ' ' B' ' 919' ' ' LYS . . . -64.95 -39.09 92.97 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.813 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 40.9 t -60.78 -41.41 95.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.297 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 917' ' ' LEU . 33.9 mt -61.06 -41.27 96.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.106 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -60.16 -39.42 86.35 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.433 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 919' ' ' LYS . . . . . 0.467 ' NZ ' ' HB1' ' B' ' 915' ' ' ALA . 69.1 mmtt -62.37 -42.45 99.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.727 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.62 -39.51 84.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.72 -41.37 95.13 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.078 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.31 -39.54 93.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.999 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -58.69 -39.52 80.94 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.126 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.33 -43.02 99.79 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.043 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.85 -48.62 76.02 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.752 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.35 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -57.44 -48.93 77.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.061 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.55 -46.86 77.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.305 . . . . 0.0 111.32 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.78 -39.35 94.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.03 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.53 -43.39 98.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.736 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 8.4 p -62.16 -43.98 97.62 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.659 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 932' ' ' LYS . . . . . 0.423 ' O ' HD13 ' A' ' 936' ' ' LEU . 63.4 mttm -65.85 -41.32 91.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.533 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -60.78 -41.77 96.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.055 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -62.24 -45.55 92.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.837 0.351 . . . . 0.0 110.259 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -65.13 -44.79 87.53 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.868 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 940' ' ' VAL . 9.6 mp -64.68 -39.81 94.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.167 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 937' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 70.6 mt-10 -56.83 -42.48 79.73 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.96 -40.51 91.34 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.01 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.35 -52.52 53.23 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.297 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 940' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 941' ' ' ALA . 22.0 m -67.53 -41.17 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.113 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.49 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -60.17 -42.06 94.19 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.145 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.78 -47.97 82.77 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.877 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 99.5 mt -69.48 -39.27 77.78 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.063 0.458 . . . . 0.0 111.734 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 944' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 949' ' ' GLU . 45.5 mtpt -60.71 -38.91 86.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.435 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -60.38 -38.04 82.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.16 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.21 -44.43 96.6 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.43 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 61.2 t -71.11 -42.42 76.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.584 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.64 45.55 0.03 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 949' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 944' ' ' LYS . 97.5 mt-10 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 21.5 m -70.89 146.58 49.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.311 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -79.76 -18.46 51.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -69.51 -20.45 63.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.788 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -54.87 -28.93 53.88 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.659 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -61.9 -45.38 94.0 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.515 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -67.19 -46.75 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.14 0.495 . . . . 0.0 110.411 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.43 -44.71 99.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.287 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.1 -41.45 86.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.669 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.12 -49.49 69.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 110.799 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.41 -41.77 93.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.004 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 57.7 tp -55.97 -42.82 76.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.35 -39.64 94.29 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.407 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 894' ' ' LEU . . . . . 0.482 ' O ' HG22 ' B' ' 898' ' ' ILE . 95.8 mt -62.88 -39.86 95.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.86 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.12 -41.74 90.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.127 0.489 . . . . 0.0 110.169 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.83 -44.84 69.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.022 0.439 . . . . 0.0 110.893 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -69.1 -49.0 61.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.627 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 898' ' ' ILE . . . . . 0.482 HG22 ' O ' ' B' ' 894' ' ' LEU . 10.0 tp -61.35 -41.99 91.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.107 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 899' ' ' GLU . . . . . 0.464 ' N ' HG23 ' B' ' 898' ' ' ILE . 88.7 mt-10 -61.92 -38.85 89.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.46 -43.71 98.39 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.331 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.84 -41.41 87.44 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.937 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -62.4 -39.53 93.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.345 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 903' ' ' ARG . . . . . 0.677 ' NH2' HH21 ' B' ' 907' ' ' ARG . 17.1 mmm180 -62.74 -45.44 92.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 92.1 mtp -65.75 -41.82 91.67 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.694 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.09 -45.87 92.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.549 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.56 -40.07 92.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.959 0.409 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 907' ' ' ARG . . . . . 0.677 HH21 ' NH2' ' B' ' 903' ' ' ARG . 95.2 mtt-85 -69.28 -39.22 78.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.286 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 908' ' ' GLN . . . . . 0.491 ' O ' HD13 ' B' ' 912' ' ' LEU . 75.3 mm-40 -63.39 -48.55 77.42 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.153 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -68.36 -36.52 79.33 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.119 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.0 -42.86 99.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.233 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 69.1 m -62.39 -42.6 99.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.226 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 912' ' ' LEU . . . . . 0.491 HD13 ' O ' ' B' ' 908' ' ' GLN . 7.3 mp -63.69 -37.69 88.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.366 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 73.0 m -60.39 -47.22 87.01 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.062 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.2 -45.73 79.76 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.08 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 915' ' ' ALA . . . . . 0.467 ' HB1' ' NZ ' ' A' ' 919' ' ' LYS . . . -64.9 -39.12 93.03 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.778 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 44.5 t -60.65 -41.35 94.79 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.287 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 917' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' B' ' 917' ' ' LEU . 33.2 mt -61.05 -41.29 96.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.107 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -60.24 -39.33 86.32 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.458 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 919' ' ' LYS . . . . . 0.477 ' NZ ' ' HB1' ' A' ' 915' ' ' ALA . 69.2 mmtt -62.47 -42.42 99.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.697 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.54 -39.69 84.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.67 -41.32 94.82 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.155 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.31 -39.61 93.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.081 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -58.47 -39.48 80.07 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.125 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.39 -43.43 98.84 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.985 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.52 -48.36 77.87 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.737 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 88.5 t -64.47 -40.83 90.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.076 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -57.15 -49.0 77.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.044 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.48 -46.99 77.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.759 0.314 . . . . 0.0 111.344 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.76 -39.21 93.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.926 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.6 -43.43 98.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.779 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 6.5 p -62.33 -43.74 98.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.612 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 932' ' ' LYS . . . . . 0.43 ' O ' HD13 ' B' ' 936' ' ' LEU . 63.4 mttm -65.98 -41.54 91.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.657 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -60.73 -41.8 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.086 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -62.13 -45.75 92.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.904 0.383 . . . . 0.0 110.443 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -64.98 -44.69 88.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.892 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 936' ' ' LEU . . . . . 0.47 ' O ' HG22 ' B' ' 940' ' ' VAL . 9.6 mp -64.81 -39.75 94.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.137 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 937' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 70.1 mt-10 -56.62 -42.53 78.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.184 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -66.09 -40.6 90.91 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.024 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.12 -52.3 56.13 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.298 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 940' ' ' VAL . . . . . 0.486 HG23 ' N ' ' B' ' 941' ' ' ALA . 21.2 m -67.63 -41.16 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.11 179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 941' ' ' ALA . . . . . 0.486 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -60.2 -42.18 94.56 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.271 -0.571 . . . . 0.0 110.165 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -61.77 -47.91 83.05 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.809 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.54 -39.18 77.62 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 111.694 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 944' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' B' ' 949' ' ' GLU . 45.5 mtpt -60.75 -38.88 86.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.45 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -60.32 -37.94 82.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.224 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.39 -44.3 96.78 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.457 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 71.0 t -71.15 -42.56 75.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.575 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.02 45.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 949' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 944' ' ' LYS . 97.0 mt-10 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.615 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 2.5 t 48.26 91.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.877 0.37 . . . . 0.0 110.682 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -83.58 -16.49 45.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.766 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -64.53 -19.2 65.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.521 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -53.18 -28.37 26.12 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 886' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 887' ' ' GLN . 24.1 pttm -61.49 -45.28 94.92 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.675 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 886' ' ' LYS . 54.4 tt0 -68.01 -39.48 83.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.455 0.645 . . . . 0.0 110.391 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.82 -40.37 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.678 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -66.69 -45.54 78.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.763 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -67.15 -40.33 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.275 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 2.1 tp -65.04 -38.21 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.589 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.67 -41.02 96.98 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.159 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -62.45 -37.88 87.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.503 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.49 -38.66 92.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.196 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 895' ' ' GLU . . . . . 0.673 ' HA ' ' HZ1' ' B' ' 944' ' ' LYS . 98.2 mt-10 -60.92 -41.22 95.75 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.34 -44.07 95.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -69.9 -45.69 67.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 5.2 mm -63.39 -44.39 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.4 -40.84 92.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.211 -0.595 . . . . 0.0 110.146 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.46 -42.48 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.6 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.22 -39.63 95.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.379 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -59.0 -42.37 89.93 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.633 -0.427 . . . . 0.0 109.927 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -64.58 -41.82 96.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.094 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 97.1 mmm -63.3 -47.05 83.92 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.033 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 905' ' ' LYS . . . . . 0.427 ' HZ2' ' HG ' ' B' ' 930' ' ' LEU . 23.5 tttt -66.75 -46.54 75.06 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.675 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.69 -43.67 92.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.705 0.288 . . . . 0.0 111.076 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -64.24 -40.67 96.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.878 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.31 -43.48 94.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.851 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.78 -39.38 93.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 110.081 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.16 -40.47 96.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.474 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 39.1 t -63.06 -42.47 99.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.664 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.4 mt -63.31 -39.54 94.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -61.69 -46.42 89.77 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.79 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.29 -44.29 83.93 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.66 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.29 93.79 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.749 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 73.0 m -60.69 -39.54 88.86 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 29.3 mt -61.88 -42.44 99.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.46 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -61.82 -45.15 95.06 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.964 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -61.21 -40.36 93.69 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.075 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.35 -39.2 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.8 -41.55 95.86 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.874 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.1 -38.89 90.58 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.309 -0.557 . . . . 0.0 109.749 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -59.97 -39.12 84.57 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.264 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.53 -43.74 98.07 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.092 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.94 -46.03 86.54 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.072 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 83.8 t -66.65 -43.42 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.331 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -57.63 -48.18 80.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.02 -41.05 87.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.516 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.98 -41.53 99.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.763 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 930' ' ' LEU . . . . . 0.426 ' HG ' ' HZ2' ' B' ' 905' ' ' LYS . 5.1 tt -61.9 -43.83 98.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 42.4 t -63.38 -44.58 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.788 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.88 -43.4 83.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.255 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 933' ' ' ASN . . . . . 0.524 ' ND2' ' OE2' ' A' ' 937' ' ' GLU . 47.4 t30 -63.19 -41.15 99.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.654 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 934' ' ' TYR . . . . . 0.625 ' CZ ' ' ND2' ' A' ' 938' ' ' ASN . 67.9 t80 -60.68 -43.43 97.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.441 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -65.6 -44.35 86.83 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.587 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.13 -40.59 94.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 937' ' ' GLU . . . . . 0.524 ' OE2' ' ND2' ' A' ' 933' ' ' ASN . 92.0 mt-10 -63.04 -43.27 99.14 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 938' ' ' ASN . . . . . 0.625 ' ND2' ' CZ ' ' A' ' 934' ' ' TYR . 82.7 m-20 -63.72 -42.13 97.96 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.367 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.49 -51.23 37.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.319 0.58 . . . . 0.0 111.21 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 64.7 t -66.86 -43.66 89.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.697 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.37 -36.84 76.52 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.79 -46.39 90.66 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 99.1 mt -69.26 -34.32 74.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.086 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 944' ' ' LYS . . . . . 0.651 ' HZ1' ' HA ' ' B' ' 895' ' ' GLU . 3.9 tppt? -57.15 -38.37 73.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.118 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.79 -33.3 71.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.098 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.57 -49.12 78.81 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.474 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.29 -42.74 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 166.36 108.3 0.21 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.764 -179.767 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 2.3 t 48.29 91.83 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.839 0.352 . . . . 0.0 110.516 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -83.56 -16.67 44.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.806 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -64.37 -19.09 65.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -53.12 -28.54 26.24 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 886' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' B' ' 887' ' ' GLN . 24.1 pttm -61.5 -45.14 95.48 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.716 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 887' ' ' GLN . . . . . 0.446 ' N ' ' CG ' ' B' ' 886' ' ' LYS . 54.8 tt0 -68.16 -39.59 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.425 0.631 . . . . 0.0 110.4 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 56.2 t -70.74 -40.4 76.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.732 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -66.51 -45.53 79.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.727 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.22 -40.31 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.277 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 2.1 tp -64.95 -38.32 82.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.62 -41.09 96.98 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.197 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -62.53 -37.68 87.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.538 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.56 -38.61 91.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.294 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 895' ' ' GLU . . . . . 0.651 ' HA ' ' HZ1' ' A' ' 944' ' ' LYS . 98.1 mt-10 -60.91 -41.22 95.71 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.861 0.362 . . . . 0.0 110.147 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.39 -43.97 96.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.598 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -69.95 -45.73 66.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 5.3 mm -63.43 -44.3 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.47 -40.78 92.49 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.129 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.49 -42.48 98.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.519 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.23 -39.58 95.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.393 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -59.03 -42.58 90.53 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.703 -0.399 . . . . 0.0 109.941 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -64.61 -41.52 96.15 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.201 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.45 -46.99 83.71 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.003 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 905' ' ' LYS . . . . . 0.426 ' HZ2' ' HG ' ' A' ' 930' ' ' LEU . 23.2 tttt -66.76 -46.53 75.08 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.645 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -64.62 -43.81 92.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.734 0.302 . . . . 0.0 111.073 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -64.17 -40.71 96.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -64.36 -43.45 94.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.76 -39.6 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.436 . . . . 0.0 110.036 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 63.5 mt -63.97 -40.57 96.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.466 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 38.4 t -62.87 -42.6 99.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 0.0 110.755 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.27 -39.64 95.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.597 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 72.2 m -61.54 -46.41 90.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.28 -44.39 83.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.594 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.3 94.07 Favored 'General case' 0 CA--C 1.512 -0.502 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.767 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 74.1 m -60.63 -39.71 89.29 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.055 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 917' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 917' ' ' LEU . 29.4 mt -61.94 -42.25 98.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.515 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -61.96 -45.07 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.006 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -61.16 -40.47 93.97 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.994 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.36 -39.19 78.88 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -60.75 -41.61 95.78 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.986 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.92 -39.05 90.69 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.783 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -59.88 -39.05 83.99 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.216 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.57 -43.82 97.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.041 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.9 -46.1 86.35 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.065 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 83.6 t -66.64 -43.46 90.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.38 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -57.56 -48.23 79.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.04 -41.03 87.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.749 0.309 . . . . 0.0 110.472 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.0 -41.38 99.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.796 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 930' ' ' LEU . . . . . 0.427 ' HG ' ' HZ2' ' A' ' 905' ' ' LYS . 5.0 tt -62.06 -43.81 98.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 42.2 t -63.24 -44.64 94.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.82 -43.38 83.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 933' ' ' ASN . . . . . 0.512 ' ND2' ' OE2' ' B' ' 937' ' ' GLU . 47.6 t30 -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.683 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 934' ' ' TYR . . . . . 0.609 ' CZ ' ' ND2' ' B' ' 938' ' ' ASN . 68.5 t80 -60.5 -43.56 96.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -65.6 -44.29 87.05 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.602 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.16 -40.49 94.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.52 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 937' ' ' GLU . . . . . 0.512 ' OE2' ' ND2' ' B' ' 933' ' ' ASN . 92.4 mt-10 -63.1 -43.33 98.78 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 938' ' ' ASN . . . . . 0.609 ' ND2' ' CZ ' ' B' ' 934' ' ' TYR . 83.1 m-20 -63.7 -42.04 98.03 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.315 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.38 -51.34 37.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.523 0.678 . . . . 0.0 111.35 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 64.3 t -66.91 -43.59 89.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.68 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 941' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.44 -36.91 76.81 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.72 -46.4 90.55 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 99.1 mt -69.31 -34.43 74.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.017 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 944' ' ' LYS . . . . . 0.673 ' HZ1' ' HA ' ' A' ' 895' ' ' GLU . 3.8 tppt? -57.07 -38.27 73.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.19 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.8 -33.26 71.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.65 -49.05 79.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.434 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.25 -42.9 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.147 0.498 . . . . 0.0 110.462 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 166.49 108.23 0.21 Allowed Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.818 -179.87 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 89.7 mttt . . . . . 0 N--CA 1.444 -0.727 0 N-CA-C 110.521 -0.177 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -66.06 -46.77 76.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.957 0.408 . . . . 0.0 110.215 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.17 -44.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.938 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.1 -34.86 77.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 890' ' ' GLU . . . . . 0.434 ' HA ' ' HE ' ' A' ' 893' ' ' ARG . 84.3 tt0 -63.78 -48.96 74.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.601 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.23 -40.98 91.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.859 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 49.1 tp -56.14 -42.4 76.87 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.84 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 893' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' A' ' 890' ' ' GLU . 88.0 mtm180 -64.15 -41.24 97.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.987 0.423 . . . . 0.0 110.492 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.75 -41.41 98.02 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.673 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.38 -44.16 97.11 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.465 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.43 -46.59 82.53 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.241 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -68.28 -47.71 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.752 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 898' ' ' ILE . . . . . 0.469 HD11 HG11 ' B' ' 940' ' ' VAL . 26.4 mm -62.5 -43.0 97.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 899' ' ' GLU . . . . . 0.479 ' OE2' ' NH2' ' A' ' 903' ' ' ARG . 83.9 tt0 -56.33 -40.6 74.68 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.871 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.04 -46.47 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.68 -40.07 94.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.669 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -59.07 -44.76 91.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.305 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 903' ' ' ARG . . . . . 0.479 ' NH2' ' OE2' ' A' ' 899' ' ' GLU . 99.5 mtt180 -65.54 -37.48 86.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 89.2 mtp -60.97 -42.02 97.5 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.32 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -65.15 -45.51 84.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.894 0.378 . . . . 0.0 110.531 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.23 -40.42 90.25 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.989 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -61.31 -42.98 99.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.457 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -63.61 -42.53 98.22 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.836 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.08 -38.72 83.74 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.26 0.552 . . . . 0.0 110.07 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.41 -37.98 89.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.985 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 44.8 t -61.43 -41.39 97.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.325 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.95 -42.2 99.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.323 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 76.9 m -61.77 -45.87 92.03 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.12 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.66 -37.51 86.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.298 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.4 -46.1 89.62 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.733 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 39.6 t -62.07 -44.48 96.59 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.277 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 35.0 mt -61.42 -41.29 96.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.214 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -61.47 -39.33 90.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.481 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -60.82 -44.69 96.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.692 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.81 -38.62 86.0 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -60.09 -40.28 89.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.986 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.46 -38.54 91.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.757 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.09 -41.04 87.08 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.193 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -64.04 -45.23 89.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.8 -47.54 71.77 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 121.042 0.449 . . . . 0.0 110.653 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.28 -42.22 95.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.142 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -57.65 -49.14 77.44 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.362 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.01 -47.31 65.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.371 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.46 -40.44 97.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.348 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 930' ' ' LEU . . . . . 0.701 HD23 ' C ' ' A' ' 930' ' ' LEU . 7.0 tt -62.34 -44.02 97.46 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.95 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 48.8 m -63.3 -44.55 94.68 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.978 0.418 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.25 -41.34 90.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.41 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.82 -39.79 90.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.79 -43.16 99.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.631 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.31 -46.62 89.54 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.461 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.48 ' O ' HG22 ' A' ' 940' ' ' VAL . 10.9 mp -67.95 -35.74 78.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.764 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 84.4 tt0 -55.98 -42.02 75.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.04 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.93 -40.46 79.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.435 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.38 -52.55 61.23 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.279 -0.569 . . . . 0.0 111.186 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 940' ' ' VAL . . . . . 0.594 HG23 ' N ' ' A' ' 941' ' ' ALA . 19.5 m -67.67 -44.25 86.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.628 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 941' ' ' ALA . . . . . 0.594 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -56.02 -40.19 73.05 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.795 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -62.17 -45.53 93.01 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.919 -0.712 . . . . 0.0 109.857 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.38 -38.14 89.1 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.348 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 949' ' ' GLU . 2.4 mptm? -56.08 -37.08 68.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.72 -36.87 77.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.5 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 946' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 946' ' ' LEU . 9.5 mp -59.92 -45.85 91.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.132 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 57.4 t -71.52 -42.65 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.67 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 948' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 949' ' ' GLU . . . 154.39 40.9 0.02 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 948' ' ' GLY . 82.5 tt0 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.501 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.908 0.385 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -54.25 -28.99 45.2 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.828 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -62.47 -45.46 92.92 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.49 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -65.96 -46.5 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.273 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.61 -44.79 99.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.929 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.53 -34.9 78.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 890' ' ' GLU . . . . . 0.433 ' HA ' ' HE ' ' B' ' 893' ' ' ARG . 83.3 tt0 -63.6 -48.96 75.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.447 . . . . 0.0 110.555 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.13 -41.43 92.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.747 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.87 -42.3 75.67 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.894 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 893' ' ' ARG . . . . . 0.433 ' HE ' ' HA ' ' B' ' 890' ' ' GLU . 88.3 mtm180 -64.6 -41.16 96.41 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.506 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.63 -41.64 98.24 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.425 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.88 -44.47 96.74 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.529 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.54 -46.68 81.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.338 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -68.15 -47.71 67.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.799 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 898' ' ' ILE . . . . . 0.455 HD11 HG11 ' A' ' 940' ' ' VAL . 26.7 mm -62.27 -42.9 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 899' ' ' GLU . . . . . 0.471 ' OE2' ' NH2' ' B' ' 903' ' ' ARG . 84.0 tt0 -56.45 -40.73 75.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.896 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.04 -46.69 88.06 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.35 -40.37 95.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.826 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -59.04 -44.44 91.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.91 0.386 . . . . 0.0 110.263 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 903' ' ' ARG . . . . . 0.471 ' NH2' ' OE2' ' B' ' 899' ' ' GLU . 99.6 mtt180 -65.63 -37.23 86.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.451 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 88.9 mtp -60.95 -42.21 97.81 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.257 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -65.2 -45.49 84.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.965 0.412 . . . . 0.0 110.685 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.14 -40.58 90.7 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.105 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -61.24 -42.71 99.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.561 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -63.74 -42.44 97.87 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.776 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.17 -39.28 85.89 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.173 0.511 . . . . 0.0 110.043 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.11 -37.84 88.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.029 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 39.3 t -61.59 -41.31 97.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.277 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.9 -42.38 99.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.337 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 71.9 m -61.93 -45.43 93.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.153 0.501 . . . . 0.0 109.995 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.54 -37.47 86.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.052 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.16 89.9 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 42.1 t -62.01 -44.57 96.44 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.31 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.64 -40.79 96.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.197 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -62.03 -39.59 92.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.425 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -60.57 -44.3 96.33 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.775 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.75 -38.75 86.25 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.623 -0.431 . . . . 0.0 109.935 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.25 -40.51 90.58 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.231 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.52 -38.0 89.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.92 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -59.16 -41.07 87.49 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.252 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -63.99 -45.31 89.58 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.589 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.31 -47.61 72.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 121.043 0.449 . . . . 0.0 110.586 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.25 -42.21 95.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.119 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -57.61 -49.09 77.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.331 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -69.29 -47.4 64.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.711 0.291 . . . . 0.0 111.545 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.48 -40.35 96.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.23 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 930' ' ' LEU . . . . . 0.693 ' C ' HD23 ' B' ' 930' ' ' LEU . 7.1 tt -62.41 -43.91 97.69 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.896 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 53.1 m -63.44 -44.26 95.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.993 0.425 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.24 -41.44 90.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.278 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.72 -40.41 92.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.767 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.35 -42.68 99.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.55 -46.63 89.09 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.49 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 936' ' ' LEU . . . . . 0.466 ' O ' HG22 ' B' ' 940' ' ' VAL . 10.9 mp -68.31 -35.31 77.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.69 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 937' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 83.8 tt0 -55.73 -42.87 75.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.837 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.09 -40.44 82.63 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.361 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -63.68 -52.74 59.31 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.227 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 940' ' ' VAL . . . . . 0.57 HG23 ' N ' ' B' ' 941' ' ' ALA . 18.5 m -67.8 -43.68 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.565 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 941' ' ' ALA . . . . . 0.57 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -56.08 -40.72 74.05 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.839 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -62.04 -45.57 92.98 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.704 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.06 -38.83 92.1 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.492 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 944' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' B' ' 949' ' ' GLU . 2.4 mptm? -55.4 -37.36 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.68 -36.72 77.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.494 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 946' ' ' LEU . . . . . 0.558 ' N ' HD12 ' B' ' 946' ' ' LEU . 9.3 mp -60.07 -45.61 92.31 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.215 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.39 -42.64 73.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.59 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 154.11 41.3 0.02 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' B' ' 944' ' ' LYS . 84.1 tt0 . . . . . 0 C--O 1.217 -0.606 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.51 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 85.7 mttt . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 120.535 0.207 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.461 ' O ' HD13 ' A' ' 891' ' ' ILE . 88.3 mt-30 -64.95 -49.48 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.962 0.41 . . . . 0.0 109.947 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.74 -44.84 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.021 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -66.93 -35.54 80.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.756 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.46 -44.54 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.42 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 891' ' ' ILE . . . . . 0.461 HD13 ' O ' ' A' ' 887' ' ' GLN . 1.5 mp -62.51 -43.22 98.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.134 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 78.4 mt -59.54 -40.12 86.21 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.474 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.16 -38.42 91.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.047 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 894' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.4 mt -63.79 -38.77 92.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.606 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.22 -41.36 97.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 110.175 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.62 -45.0 63.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.147 0.498 . . . . 0.0 110.862 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -67.68 -48.73 65.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.306 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 898' ' ' ILE . . . . . 0.471 HG22 ' O ' ' A' ' 894' ' ' LEU . 10.1 tp -61.39 -41.81 91.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.12 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 899' ' ' GLU . . . . . 0.457 ' N ' HG23 ' A' ' 898' ' ' ILE . 82.3 tt0 -59.54 -38.6 81.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.911 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 900' ' ' ASP . . . . . 0.417 ' HA ' ' HE ' ' A' ' 903' ' ' ARG . 64.0 t0 -61.13 -43.77 98.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.233 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.03 -39.14 93.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.423 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -59.47 -46.67 88.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.77 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 903' ' ' ARG . . . . . 0.417 ' HE ' ' HA ' ' A' ' 900' ' ' ASP . 86.8 mtm180 -65.17 -38.54 90.86 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.29 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 91.9 mtp -62.23 -43.26 99.22 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.433 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -68.06 -46.63 70.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.839 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.57 -45.15 80.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.302 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.31 -40.96 96.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.605 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -64.61 -46.33 83.09 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.916 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.94 -38.42 82.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.936 0.398 . . . . 0.0 110.438 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.61 -40.44 95.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.947 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 67.0 m -61.63 -43.4 98.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.464 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 9.9 mp -64.38 -38.1 89.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 81.7 m -58.79 -48.74 80.21 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.226 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.63 -42.79 99.79 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.137 0.494 . . . . 0.0 110.459 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 915' ' ' ALA . . . . . 0.421 ' HB1' ' NZ ' ' B' ' 919' ' ' LYS . . . -64.11 -39.01 93.13 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.593 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.472 ' O ' HD13 ' A' ' 920' ' ' LEU . 71.0 m -59.45 -43.15 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.687 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.77 -41.65 97.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -57.91 -44.98 87.13 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.535 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 919' ' ' LYS . . . . . 0.415 ' NZ ' ' HB1' ' B' ' 915' ' ' ALA . 70.6 mmtt -60.44 -40.35 90.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.346 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 920' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 916' ' ' SER . 7.4 mp -58.23 -38.36 76.69 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.586 -0.445 . . . . 0.0 109.95 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.96 -42.0 98.63 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.048 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.72 -37.55 84.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.889 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.38 -38.26 88.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.082 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.35 -41.38 98.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.013 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.12 -48.93 76.42 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.709 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 88.1 t -65.3 -41.11 90.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.034 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -56.24 -48.67 76.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.886 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.309 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.36 -38.55 91.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.215 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 5.1 tt -61.5 -44.13 97.63 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.216 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 11.6 t -64.27 -43.99 93.09 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.748 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.82 -42.24 97.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.337 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -58.88 -40.68 85.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.059 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -62.15 -46.09 90.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 935' ' ' HIS . . . . . 0.524 ' CE1' ' OE2' ' A' ' 939' ' ' GLU . 10.8 t-160 -65.97 -45.22 82.5 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.905 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.463 ' O ' HG22 ' A' ' 940' ' ' VAL . 9.7 mp -65.73 -39.48 91.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.399 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 28.7 mm-40 -57.85 -44.06 86.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.52 -40.14 92.63 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 939' ' ' GLU . . . . . 0.524 ' OE2' ' CE1' ' A' ' 935' ' ' HIS . 97.8 mt-10 -66.38 -53.08 40.07 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.566 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 940' ' ' VAL . . . . . 0.594 HG23 ' N ' ' A' ' 941' ' ' ALA . 15.3 m -67.33 -46.36 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.712 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 941' ' ' ALA . . . . . 0.594 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -56.4 -40.62 74.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.413 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.27 -44.9 95.48 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.422 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 943' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 943' ' ' LEU . 39.5 mt -67.04 -40.53 87.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.301 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.57 -37.91 85.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -53.52 -34.47 58.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.23 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.76 -50.13 74.72 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.242 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 76.6 t -73.82 -42.16 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . -172.64 -78.21 0.05 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.871 -1.061 . . . . 0.0 110.539 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -53.38 -29.1 32.87 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.956 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.19 -45.6 91.0 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 887' ' ' GLN . . . . . 0.468 ' O ' HD13 ' B' ' 891' ' ' ILE . 88.6 mt-30 -65.38 -48.85 71.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 109.988 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.1 -44.77 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 0.0 110.132 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.0 -35.58 80.27 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.719 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.58 -44.91 85.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 891' ' ' ILE . . . . . 0.468 HD13 ' O ' ' B' ' 887' ' ' GLN . 1.5 mp -61.81 -43.47 97.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.234 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.11 -40.96 87.02 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.481 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.41 -38.98 91.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.104 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 894' ' ' LEU . . . . . 0.467 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.3 mt -63.31 -39.05 93.5 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -63.91 -41.26 97.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.042 0.449 . . . . 0.0 110.167 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.64 -45.01 63.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.104 0.478 . . . . 0.0 110.923 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -67.78 -48.46 66.28 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.253 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 898' ' ' ILE . . . . . 0.467 HG22 ' O ' ' B' ' 894' ' ' LEU . 10.3 tp -61.48 -41.45 90.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 899' ' ' GLU . . . . . 0.442 ' N ' HG23 ' B' ' 898' ' ' ILE . 80.3 tt0 -59.86 -38.6 82.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.892 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 900' ' ' ASP . . . . . 0.416 ' HA ' ' HE ' ' B' ' 903' ' ' ARG . 65.2 t0 -61.11 -44.04 97.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.264 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.89 -39.09 93.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.467 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -59.55 -46.29 89.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.716 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 903' ' ' ARG . . . . . 0.416 ' HE ' ' HA ' ' B' ' 900' ' ' ASP . 87.0 mtm180 -65.63 -38.35 89.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.34 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 92.7 mtp -62.22 -43.05 99.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.922 0.391 . . . . 0.0 110.516 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -68.26 -46.83 69.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.761 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.44 -44.69 82.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.333 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.47 -41.57 97.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.711 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -64.47 -46.0 84.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.828 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.76 -39.32 84.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.986 0.422 . . . . 0.0 110.466 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 68.7 mt -64.31 -40.0 95.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.871 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 68.7 m -61.55 -43.38 98.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.626 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.9 -38.02 89.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 75.1 m -58.78 -48.3 81.72 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.228 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -63.1 -42.0 99.5 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.109 0.48 . . . . 0.0 110.43 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 915' ' ' ALA . . . . . 0.415 ' HB1' ' NZ ' ' A' ' 919' ' ' LYS . . . -64.67 -39.49 93.77 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.626 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 916' ' ' SER . . . . . 0.448 ' O ' HD13 ' B' ' 920' ' ' LEU . 66.8 m -59.19 -43.63 92.21 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.665 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.24 -41.76 97.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -57.83 -45.12 86.65 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.574 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 919' ' ' LYS . . . . . 0.421 ' NZ ' ' HB1' ' A' ' 915' ' ' ALA . 70.4 mmtt -60.12 -40.57 90.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.358 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 920' ' ' LEU . . . . . 0.448 HD13 ' O ' ' B' ' 916' ' ' SER . 7.4 mp -58.06 -38.58 76.58 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.82 -41.77 98.2 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.016 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.01 -37.05 83.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.827 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.92 -38.47 91.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.07 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.01 -41.3 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.119 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.18 -48.87 76.53 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.612 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 91.9 t -65.4 -41.24 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.146 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -56.11 -47.96 77.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.4 -46.5 89.89 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.2 -38.56 89.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.972 0.415 . . . . 0.0 109.983 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.49 -44.36 97.23 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.33 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 11.1 t -63.9 -44.07 94.07 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.728 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.88 -42.41 97.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.417 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -58.93 -40.27 84.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.979 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -62.5 -46.12 89.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.837 0.351 . . . . 0.0 110.452 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 935' ' ' HIS . . . . . 0.527 ' CE1' ' OE2' ' B' ' 939' ' ' GLU . 11.0 t-160 -65.93 -45.43 81.91 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.801 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 936' ' ' LEU . . . . . 0.444 ' O ' HG22 ' B' ' 940' ' ' VAL . 9.6 mp -65.35 -40.13 93.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.472 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 937' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 28.4 mm-40 -57.19 -44.18 83.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.361 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.28 -40.58 94.06 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.902 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 939' ' ' GLU . . . . . 0.527 ' OE2' ' CE1' ' B' ' 935' ' ' HIS . 97.9 mt-10 -65.91 -53.13 43.49 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.643 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 940' ' ' VAL . . . . . 0.589 HG23 ' N ' ' B' ' 941' ' ' ALA . 15.5 m -67.34 -46.18 84.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.767 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 941' ' ' ALA . . . . . 0.589 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -56.4 -40.99 75.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.323 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -62.0 -45.3 94.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.007 0.432 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 943' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' B' ' 943' ' ' LEU . 38.7 mt -66.84 -40.7 88.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.252 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -61.33 -37.68 84.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.526 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -53.67 -34.61 59.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.34 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.81 -50.89 71.62 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.198 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 78.5 t -72.75 -42.32 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 110.347 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . -172.14 -77.73 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.47 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt . . . . . 0 N--CA 1.447 -0.615 0 CA-C-O 120.449 0.166 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.04 -43.56 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.408 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.73 -44.41 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.348 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.69 -41.55 87.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.02 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -63.56 -45.53 90.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.557 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.23 -40.19 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 892' ' ' LEU . . . . . 0.656 HD11 ' NZ ' ' A' ' 896' ' ' LYS . 50.1 tp -59.17 -42.67 91.34 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.201 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.14 -39.33 93.8 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.175 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 894' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.2 mt -63.09 -39.31 94.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.985 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.32 -41.69 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.129 0.49 . . . . 0.0 110.225 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 896' ' ' LYS . . . . . 0.656 ' NZ ' HD11 ' A' ' 892' ' ' LEU . 61.6 mttp -69.77 -44.61 69.81 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.749 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -68.51 -49.95 55.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.795 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 898' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 894' ' ' LEU . 9.8 tp -60.65 -41.97 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 899' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 898' ' ' ILE . 90.1 mt-10 -62.22 -38.3 88.63 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.53 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -61.56 -41.23 97.08 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.072 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.4 -41.78 88.8 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 902' ' ' GLN . . . . . 0.424 ' CG ' HD21 ' B' ' 933' ' ' ASN . 88.2 mt-30 -63.69 -39.29 93.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.51 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -63.21 -42.03 99.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.699 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 62.5 mtt -64.52 -41.96 96.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.516 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 905' ' ' LYS . . . . . 0.495 ' NZ ' ' OE2' ' A' ' 909' ' ' GLU . 13.6 tttp -62.36 -46.44 88.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.246 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.62 -44.95 88.9 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.786 -0.365 . . . . 0.0 111.01 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -65.74 -39.94 91.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.219 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -63.18 -45.62 90.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.173 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.495 ' OE2' ' NZ ' ' A' ' 905' ' ' LYS . 98.2 mt-10 -65.52 -41.23 93.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.103 0.477 . . . . 0.0 110.268 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.55 -40.5 95.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.501 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 11.2 t -62.91 -42.32 99.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.059 0.457 . . . . 0.0 110.59 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.36 -39.54 94.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.601 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 71.8 m -61.42 -47.98 83.29 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.102 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.42 -43.87 84.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 915' ' ' ALA . . . . . 0.446 ' HB1' ' NZ ' ' B' ' 919' ' ' LYS . . . -64.7 -40.82 96.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.935 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 11.5 t -60.41 -40.68 91.87 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.327 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 917' ' ' LEU . 32.3 mt -60.9 -41.8 96.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.184 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -60.27 -39.04 85.43 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.061 -0.655 . . . . 0.0 110.351 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 919' ' ' LYS . . . . . 0.456 ' NZ ' ' HB1' ' B' ' 915' ' ' ALA . 70.4 mmtt -62.43 -42.05 99.17 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.588 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.76 -39.39 84.67 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.9 -40.63 93.82 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.08 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.79 -39.13 93.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.085 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -59.62 -39.66 84.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.57 -43.86 97.76 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.068 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -64.21 -47.26 80.4 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 82.6 t -65.19 -43.99 95.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.461 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -57.92 -48.86 78.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.756 0.312 . . . . 0.0 110.585 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.11 -39.81 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.24 -41.75 98.71 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.75 -44.35 97.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.388 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 62.7 m -61.97 -43.54 98.63 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.97 -39.45 93.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.505 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 933' ' ' ASN . . . . . 0.406 HD21 ' CG ' ' B' ' 902' ' ' GLN . 20.0 t-20 -60.38 -41.62 94.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.189 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -63.52 -44.22 94.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.731 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -61.53 -45.8 92.63 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.431 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.432 ' O ' HG22 ' A' ' 940' ' ' VAL . 90.4 mt -67.89 -36.51 80.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.144 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -56.66 -43.06 79.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -68.38 -40.69 81.31 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.724 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -63.17 -52.1 63.75 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.283 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 940' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 941' ' ' ALA . 16.2 m -67.97 -40.72 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.403 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 941' ' ' ALA . . . . . 0.491 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -61.28 -40.2 93.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.317 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.63 -46.2 89.34 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.489 -0.485 . . . . 0.0 109.968 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.23 -37.13 83.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.94 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.95 -38.32 64.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.072 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.13 -35.39 73.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.66 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.57 -46.52 89.92 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.037 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 75.3 t -72.0 -42.58 68.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.354 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.31 49.54 0.02 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.636 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.92 0.39 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -56.17 -29.53 60.94 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.051 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -62.5 -45.45 92.94 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.898 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -67.37 -43.38 81.58 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.516 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.59 -44.53 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.19 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.69 -41.66 87.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.182 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -63.34 -45.75 89.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.542 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.25 -40.22 88.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.865 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 892' ' ' LEU . . . . . 0.656 HD11 ' NZ ' ' B' ' 896' ' ' LYS . 52.1 tp -59.0 -42.68 90.65 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.913 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -64.07 -39.74 94.72 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.254 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 894' ' ' LEU . . . . . 0.479 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.3 mt -63.07 -39.77 95.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.796 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.68 -41.39 92.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.502 . . . . 0.0 110.058 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 896' ' ' LYS . . . . . 0.656 ' NZ ' HD11 ' B' ' 892' ' ' LEU . 61.7 mttp -69.86 -44.86 68.98 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.808 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.7 -49.59 57.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.852 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 898' ' ' ILE . . . . . 0.479 HG22 ' O ' ' B' ' 894' ' ' LEU . 9.8 tp -60.79 -42.01 90.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 899' ' ' GLU . . . . . 0.462 ' N ' HG23 ' B' ' 898' ' ' ILE . 89.2 mt-10 -62.21 -38.41 89.05 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.5 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -61.58 -41.23 97.12 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.186 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.4 mp -66.47 -41.66 88.68 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 902' ' ' GLN . . . . . 0.406 ' CG ' HD21 ' A' ' 933' ' ' ASN . 88.6 mt-30 -63.77 -39.4 94.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.422 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 42.8 mmm-85 -63.03 -42.28 99.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.91 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 62.7 mtt -64.31 -42.24 96.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.406 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 905' ' ' LYS . . . . . 0.483 ' NZ ' ' OE2' ' B' ' 909' ' ' GLU . 13.7 tttp -61.64 -46.51 89.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.167 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.59 -45.26 87.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.764 0.316 . . . . 0.0 111.11 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -65.73 -40.11 91.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -63.13 -45.54 91.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.142 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 909' ' ' GLU . . . . . 0.483 ' OE2' ' NZ ' ' B' ' 905' ' ' LYS . 97.3 mt-10 -65.79 -40.84 92.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.893 0.377 . . . . 0.0 110.251 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.84 -40.4 95.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.521 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 11.0 t -62.67 -42.21 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 0.0 110.507 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.9 mt -63.58 -39.77 95.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.656 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 73.8 m -61.48 -47.81 83.95 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.053 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.18 -44.01 85.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.64 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 915' ' ' ALA . . . . . 0.456 ' HB1' ' NZ ' ' A' ' 919' ' ' LYS . . . -64.8 -40.72 95.69 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.973 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 11.4 t -60.57 -40.55 92.08 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.053 0.454 . . . . 0.0 110.271 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.0 -41.96 97.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.21 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -60.08 -38.9 84.25 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.302 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 919' ' ' LYS . . . . . 0.446 ' NZ ' ' HB1' ' A' ' 915' ' ' ALA . 70.9 mmtt -62.68 -42.21 99.5 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.664 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.61 -39.39 84.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.8 -41.22 95.2 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.105 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.28 -39.66 93.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.04 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -58.82 -39.74 82.08 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.83 -43.88 97.61 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.167 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -63.98 -47.42 80.45 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.77 -44.17 96.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.434 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -58.08 -48.85 78.9 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.632 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.12 -39.87 86.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.416 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.37 -41.55 98.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 930' ' ' LEU . . . . . 0.409 HD12 ' NZ ' ' A' ' 905' ' ' LYS . 6.4 tt -62.05 -44.13 97.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.303 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 58.8 m -61.91 -43.63 98.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.81 -39.43 93.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.561 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 933' ' ' ASN . . . . . 0.424 HD21 ' CG ' ' A' ' 902' ' ' GLN . 20.5 t-20 -60.39 -41.67 94.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.207 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -63.47 -44.33 94.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.651 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -61.15 -45.71 93.5 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.398 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 936' ' ' LEU . . . . . 0.444 ' O ' HG22 ' B' ' 940' ' ' VAL . 93.7 mt -68.07 -36.58 80.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.218 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 937' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -56.75 -42.91 80.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.358 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -68.39 -41.14 80.92 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.602 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -62.74 -52.2 64.17 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.392 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 940' ' ' VAL . . . . . 0.471 HG23 ' N ' ' B' ' 941' ' ' ALA . 16.0 m -67.82 -40.62 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.407 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 941' ' ' ALA . . . . . 0.471 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -61.48 -40.3 94.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.19 -46.32 89.43 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.104 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.5 -37.0 82.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.042 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.94 -38.4 64.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.916 0.388 . . . . 0.0 109.972 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.11 -35.46 73.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.685 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.24 -46.58 89.28 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.046 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.13 -42.69 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.443 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.32 49.22 0.02 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.655 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 56.2 mttm . . . . . 0 N--CA 1.444 -0.766 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -65.31 -49.41 69.58 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.09 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.72 -44.77 97.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.069 0.462 . . . . 0.0 110.091 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -66.06 -34.59 78.43 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.866 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.52 -46.44 82.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.508 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.44 -44.11 97.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.336 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 80.3 mt -56.95 -40.0 75.61 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.972 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.74 -38.91 92.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.266 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 894' ' ' LEU . . . . . 0.482 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.2 mt -64.37 -39.31 93.61 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.14 -41.49 94.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 109.947 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.51 -43.94 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.015 0.436 . . . . 0.0 110.806 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -68.56 -48.15 64.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.273 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 898' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 894' ' ' LEU . 10.4 tp -62.94 -41.83 94.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.033 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 899' ' ' GLU . . . . . 0.511 ' OE2' ' NH2' ' A' ' 903' ' ' ARG . 81.2 tt0 -60.41 -39.79 88.65 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.047 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.82 -44.32 97.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.46 -40.94 98.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -59.37 -39.36 83.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.174 0.511 . . . . 0.0 110.366 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 903' ' ' ARG . . . . . 0.511 ' NH2' ' OE2' ' A' ' 899' ' ' GLU . 99.3 mtt180 -73.45 -35.2 65.71 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.62 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 68.6 mmm -61.35 -47.43 85.92 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.1 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 905' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 906' ' ' GLU . 51.1 pttt -69.76 -42.88 73.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.819 0.342 . . . . 0.0 110.673 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 905' ' ' LYS . 94.9 mt-10 -65.41 -40.3 93.22 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.949 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -69.29 -38.2 78.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.634 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.39 -47.26 82.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.432 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.43 -36.83 82.0 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.334 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.14 -43.06 99.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.409 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 35.9 t -64.29 -41.98 96.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.504 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.01 -40.01 96.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.413 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 79.4 m -59.68 -48.02 83.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.73 -38.34 90.75 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.014 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.54 94.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 47.8 t -60.12 -43.05 95.91 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.851 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.06 -40.73 96.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.55 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -60.48 -42.44 96.28 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 919' ' ' LYS . . . . . 0.552 ' NZ ' ' NZ ' ' B' ' 919' ' ' LYS . 43.4 mmtm -60.8 -41.93 96.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.608 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.14 -38.78 80.51 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.072 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.84 -41.52 95.99 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.256 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.4 -39.13 92.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.045 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.8 -41.18 86.15 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.054 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.73 -42.61 99.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.087 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.06 -47.04 81.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.546 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.43 -44.1 98.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.25 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -56.31 -48.08 77.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.38 -37.86 88.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.126 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.92 -42.09 99.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.088 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.32 -42.62 99.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.586 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 67.6 m -59.14 -43.31 92.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.446 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -65.13 -41.83 94.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.248 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -60.78 -42.15 96.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.233 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -59.97 -44.73 94.28 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.921 0.391 . . . . 0.0 110.325 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -60.61 -44.63 96.07 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.712 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.516 ' O ' HG22 ' A' ' 940' ' ' VAL . 9.2 mp -64.6 -39.32 93.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.384 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 84.0 mt-10 -55.95 -42.63 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.23 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -66.62 -41.55 88.19 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.481 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.58 -52.76 55.87 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.284 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 940' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 936' ' ' LEU . 18.3 m -66.58 -40.76 87.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.293 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 941' ' ' ALA . . . . . 0.482 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -57.17 -41.11 78.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.108 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.15 -45.67 93.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.508 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.5 -42.25 95.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.048 0.452 . . . . 0.0 110.82 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 949' ' ' GLU . 51.7 mtmt -63.93 -39.71 94.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -59.54 -39.12 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.409 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.5 -44.62 95.92 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.606 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.24 -42.38 74.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.534 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.42 43.5 0.03 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 944' ' ' LYS . 97.1 mt-10 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.623 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.961 0.41 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.27 -29.51 47.27 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -61.92 -45.22 94.65 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.376 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -65.48 -48.93 70.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.89 0.376 . . . . 0.0 110.241 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 91.8 t -60.65 -44.84 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.248 0.547 . . . . 0.0 110.004 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.89 -34.92 79.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.775 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.43 -46.14 84.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.626 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.05 -43.71 98.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.221 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 79.9 mt -56.8 -40.22 75.56 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.833 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.81 -38.55 91.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 894' ' ' LEU . . . . . 0.48 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.3 mt -65.05 -38.71 91.7 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.694 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.44 -41.43 93.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.166 0.507 . . . . 0.0 109.807 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -71.2 -44.59 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.107 0.479 . . . . 0.0 110.768 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.29 -48.01 66.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.414 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 898' ' ' ILE . . . . . 0.48 HG22 ' O ' ' B' ' 894' ' ' LEU . 10.6 tp -63.11 -41.86 94.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.02 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 899' ' ' GLU . . . . . 0.492 ' OE2' ' NH2' ' B' ' 903' ' ' ARG . 79.8 tt0 -60.05 -40.38 89.22 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.156 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.45 -43.95 97.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.456 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.79 -40.97 97.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -59.36 -39.12 82.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.115 0.483 . . . . 0.0 110.364 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 903' ' ' ARG . . . . . 0.492 ' NH2' ' OE2' ' B' ' 899' ' ' GLU . 99.3 mtt180 -73.69 -35.24 65.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.684 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 69.0 mmm -61.31 -47.22 86.93 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.101 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 905' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' B' ' 906' ' ' GLU . 51.5 pttt -69.74 -43.23 72.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.86 0.362 . . . . 0.0 110.643 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 906' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' B' ' 905' ' ' LYS . 95.2 mt-10 -64.84 -40.36 95.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.008 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -69.36 -38.11 77.94 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -63.71 -47.11 82.46 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.391 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.35 -36.76 82.07 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 26.4 mt -63.18 -43.2 98.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 38.7 t -64.36 -41.67 96.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.503 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.1 -39.96 96.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 74.7 m -59.88 -47.32 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.757 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.3 -38.07 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.115 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.59 93.39 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 25.4 t -60.1 -43.17 95.76 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.59 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -40.41 95.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -60.82 -43.17 98.56 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.652 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 919' ' ' LYS . . . . . 0.552 ' NZ ' ' NZ ' ' A' ' 919' ' ' LYS . 43.4 mmtm -60.16 -42.29 94.63 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.632 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.71 -38.77 79.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.973 0.416 . . . . 0.0 110.085 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -61.04 -41.19 96.11 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.203 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.38 -39.22 92.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.023 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.9 -41.49 87.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.184 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.58 -42.51 98.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.135 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.12 -46.38 84.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.591 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.12 -43.95 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.187 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -56.31 -47.59 78.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.97 -38.1 87.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.282 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.64 -42.16 99.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.004 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.37 -42.91 99.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.741 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 71.1 m -58.85 -43.15 90.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.38 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -65.22 -41.8 94.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.349 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -61.07 -41.69 97.1 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.28 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -59.98 -45.24 93.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.833 0.349 . . . . 0.0 110.297 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -60.25 -44.48 95.23 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.724 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 936' ' ' LEU . . . . . 0.523 ' O ' HG22 ' B' ' 940' ' ' VAL . 9.2 mp -64.92 -38.89 92.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.461 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 937' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 83.0 mt-10 -56.08 -42.78 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.244 0.34 . . . . 0.0 110.244 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.57 -41.5 88.51 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.299 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.5 -52.97 55.12 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.285 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 940' ' ' VAL . . . . . 0.523 HG22 ' O ' ' B' ' 936' ' ' LEU . 19.3 m -66.44 -40.86 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.85 0.357 . . . . 0.0 110.407 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 941' ' ' ALA . . . . . 0.488 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -57.16 -41.05 78.49 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.07 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -60.96 -45.87 93.01 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.333 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.66 -42.77 95.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 944' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' B' ' 949' ' ' GLU . 51.3 mtmt -63.42 -39.51 94.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -59.68 -39.48 84.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.45 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.21 -44.36 96.74 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.606 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 77.9 t -71.42 -42.44 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.561 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.53 43.41 0.03 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 944' ' ' LYS . 96.2 mt-10 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.579 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt . . . . . 0 N--CA 1.45 -0.475 0 CA-C-O 120.661 0.267 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.9 -47.67 76.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.898 0.38 . . . . 0.0 110.224 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.62 -43.99 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.987 0.423 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -66.58 -37.19 84.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.177 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -63.79 -48.64 76.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.061 0.458 . . . . 0.0 110.61 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.07 -41.14 90.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.937 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 892' ' ' LEU . . . . . 0.516 ' O ' HD13 ' A' ' 892' ' ' LEU . 0.2 OUTLIER -56.53 -42.22 78.09 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.76 -177.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -62.89 -39.54 94.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.774 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 894' ' ' LEU . . . . . 0.461 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.4 mt -63.49 -38.56 91.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.485 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.21 -40.32 93.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.079 0.466 . . . . 0.0 110.069 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.55 -44.78 70.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.293 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.6 -49.46 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.537 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 898' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 894' ' ' LEU . 11.0 tp -62.11 -40.97 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.033 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 899' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 898' ' ' ILE . 82.2 tt0 -60.66 -39.9 90.1 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.144 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.77 -42.81 99.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.372 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.79 -40.94 98.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.358 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -59.95 -40.95 90.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.377 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.33 -37.02 86.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 86.9 mmm -62.02 -43.13 99.48 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.223 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -62.71 -47.54 83.16 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.644 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -66.8 -37.77 85.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -42.4 98.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.535 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -65.55 -43.5 89.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.425 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.98 -39.65 86.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.439 . . . . 0.0 110.255 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.76 -40.39 96.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.011 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 41.0 m -62.96 -38.19 90.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.052 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.01 -41.81 99.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.415 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 65.4 m -61.74 -44.55 96.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.09 -38.07 89.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.329 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.41 93.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.515 ' HA ' ' HZ2' ' B' ' 919' ' ' LYS . 36.7 t -61.71 -42.79 99.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.215 0.531 . . . . 0.0 110.415 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.1 -39.72 91.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.206 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -61.75 -40.31 94.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 919' ' ' LYS . . . . . 0.4 ' HZ2' ' HA ' ' B' ' 916' ' ' SER . 54.0 mtpt -59.69 -44.65 93.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.519 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.3 -38.94 85.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.931 0.396 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -60.09 -40.85 91.0 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.344 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.09 -39.44 94.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.039 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -58.7 -41.82 87.15 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.251 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -62.83 -44.49 96.01 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -67.2 -48.74 66.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.992 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.53 -40.98 91.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.15 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.32 -48.56 80.14 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.005 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.44 -47.38 70.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.799 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 933' ' ' ASN . 9.1 mp -62.66 -37.82 87.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.16 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.95 -43.92 97.83 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.271 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 10.9 t -63.07 -44.62 95.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.708 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.17 -41.21 90.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.493 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 933' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 929' ' ' LEU . 7.9 m-20 -61.94 -41.75 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.024 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -61.39 -44.73 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.395 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 935' ' ' HIS . . . . . 0.521 ' CE1' ' OE2' ' A' ' 939' ' ' GLU . 10.4 t-160 -65.75 -44.28 86.37 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.456 -0.497 . . . . 0.0 110.849 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.11 -40.73 94.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.466 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 78.7 mt-10 -58.66 -43.05 89.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.59 -40.87 96.3 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.721 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 939' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 935' ' ' HIS . 98.3 mt-10 -68.83 -50.88 46.36 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.168 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.59 -45.96 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.487 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 941' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -57.62 -41.59 81.62 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.097 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -60.99 -43.07 99.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.241 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 48.2 tp -65.51 -43.58 89.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.7 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.08 -39.01 93.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.011 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.4 -35.92 68.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.68 -43.63 98.49 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.585 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 68.4 t -70.88 -42.5 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.369 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 157.33 21.7 0.03 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.5 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.943 0.401 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -55.83 -30.54 61.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.779 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -62.44 -45.05 94.81 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.858 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -65.17 -47.36 77.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.955 0.407 . . . . 0.0 110.199 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.05 -43.65 97.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.711 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -67.12 -37.87 84.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.2 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.08 -48.82 76.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.089 0.471 . . . . 0.0 110.485 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.92 -41.33 90.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.901 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 892' ' ' LEU . . . . . 0.525 HD13 ' O ' ' B' ' 892' ' ' LEU . 0.2 OUTLIER -56.22 -42.06 76.65 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.767 -177.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -63.05 -40.2 97.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.753 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 894' ' ' LEU . . . . . 0.456 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.6 mt -62.98 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.354 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.59 -40.02 93.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.04 0.448 . . . . 0.0 110.016 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -70.06 -44.12 69.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.962 0.411 . . . . 0.0 111.292 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.42 -49.58 53.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.432 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 898' ' ' ILE . . . . . 0.46 HG23 ' N ' ' B' ' 899' ' ' GLU . 11.0 tp -61.39 -41.36 89.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.998 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 899' ' ' GLU . . . . . 0.46 ' N ' HG23 ' B' ' 898' ' ' ILE . 82.4 tt0 -60.39 -40.07 89.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.266 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.89 -42.46 99.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.74 -40.85 98.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.221 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.1 -41.26 92.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.537 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 903' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' B' ' 907' ' ' ARG . 98.0 mtt180 -63.97 -36.72 84.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.551 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 86.8 mmm -62.29 -43.07 99.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.412 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -62.92 -47.13 84.57 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.597 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.95 -37.82 84.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.654 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 907' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 1.0 OUTLIER -61.08 -42.94 99.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.534 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -65.37 -42.87 92.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.411 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.2 -39.8 87.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.173 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 63.5 mt -63.7 -40.42 96.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.057 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 37.8 m -63.07 -37.93 89.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.44 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.19 -41.4 99.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.338 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 72.4 m -62.02 -44.86 95.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.61 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.91 -38.78 92.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.381 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.19 93.46 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.58 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 916' ' ' SER . . . . . 0.4 ' HA ' ' HZ2' ' A' ' 919' ' ' LYS . 39.9 t -61.44 -43.09 99.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.215 0.531 . . . . 0.0 110.453 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 27.7 mt -61.23 -39.51 90.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.282 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -61.89 -39.53 92.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 919' ' ' LYS . . . . . 0.515 ' HZ2' ' HA ' ' A' ' 916' ' ' SER . 54.7 mtpt -60.19 -44.76 94.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.401 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.25 -38.4 83.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.921 0.391 . . . . 0.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.38 -40.67 91.69 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.449 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.45 -38.49 91.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.904 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -59.35 -42.43 91.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.171 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -62.58 -44.63 95.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -66.85 -49.1 66.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.048 0.452 . . . . 0.0 111.075 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.35 -41.1 91.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.192 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.97 -48.58 79.56 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.969 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.47 -47.54 69.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.86 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 929' ' ' LEU . . . . . 0.43 ' O ' ' OD1' ' B' ' 933' ' ' ASN . 9.2 mp -62.44 -37.9 87.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.142 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.02 -43.77 98.13 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.193 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 11.2 t -63.44 -44.57 94.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.09 -40.96 91.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.412 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 933' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' B' ' 929' ' ' LEU . 8.1 m-20 -62.22 -42.01 98.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.048 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.29 -44.43 97.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 935' ' ' HIS . . . . . 0.531 ' CE1' ' OE2' ' B' ' 939' ' ' GLU . 10.7 t-160 -65.92 -44.3 85.54 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.944 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 69.8 mt -65.21 -40.49 94.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.404 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 937' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 81.7 mt-10 -58.71 -43.29 90.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.36 -41.01 96.94 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.588 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 939' ' ' GLU . . . . . 0.531 ' OE2' ' CE1' ' B' ' 935' ' ' HIS . 98.8 mt-10 -68.17 -51.04 50.26 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.261 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.58 -46.47 86.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 941' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -57.29 -41.48 79.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.055 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -61.06 -42.6 98.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.04 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 47.3 tp -66.07 -43.55 87.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -64.04 -38.51 91.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.011 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -57.07 -35.67 69.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.469 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.04 -43.8 98.06 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.469 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.81 -42.55 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.533 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 157.5 22.07 0.03 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.568 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 55.9 mttm . . . . . 0 N--CA 1.442 -0.828 0 CA-C-O 120.529 0.204 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.485 ' O ' HD13 ' A' ' 891' ' ' ILE . 49.2 mt-30 -66.13 -46.74 76.44 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.505 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 83.8 t -62.9 -46.41 96.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.24 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.74 -40.25 88.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.069 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.15 -42.18 89.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.795 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 891' ' ' ILE . . . . . 0.485 HD13 ' O ' ' A' ' 887' ' ' GLN . 1.3 mp -62.43 -42.16 94.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.4 -41.48 93.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.13 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.25 -38.56 91.63 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.091 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.07 -40.33 96.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.9 -41.14 95.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.79 -42.91 97.65 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.559 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.2 -47.97 63.36 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 29.7 mm -63.95 -43.78 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.77 -39.17 87.81 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.122 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.64 -43.63 98.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.468 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.396 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -57.89 -46.44 84.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.85 0.357 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.19 -37.69 84.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.99 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 84.2 mmm -61.77 -44.87 96.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.967 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 905' ' ' LYS . . . . . 0.408 ' HZ3' ' HB3' ' B' ' 933' ' ' ASN . 52.4 mtmt -65.41 -45.25 84.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.796 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . 0.538 ' O ' HD13 ' A' ' 910' ' ' LEU . 80.8 mm-40 -66.7 -45.82 77.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.023 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.04 -38.21 85.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -63.89 -43.83 94.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.874 0.369 . . . . 0.0 110.496 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.471 ' OE2' HG11 ' B' ' 926' ' ' VAL . 77.8 mm-40 -62.91 -38.41 90.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.275 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 910' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 906' ' ' GLU . 8.4 mp -63.8 -41.24 97.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.268 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 10.3 t -62.39 -40.43 96.46 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.635 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.86 -40.66 98.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.019 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -61.71 -45.78 92.48 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.025 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . 0.487 ' OE2' ' O ' ' A' ' 910' ' ' LEU . 1.1 mp0 -65.94 -45.01 83.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.55 -41.21 96.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.704 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.415 ' O ' HD13 ' A' ' 920' ' ' LEU . 50.3 m -60.58 -39.23 87.28 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.203 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.78 -42.31 98.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.072 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -58.66 -42.72 89.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.622 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -61.07 -41.88 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.585 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 920' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 916' ' ' SER . 7.9 mp -60.11 -38.63 83.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -60.77 -40.95 94.45 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.102 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.05 -38.32 90.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.51 -41.74 90.63 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.251 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.69 -41.8 99.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.217 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -62.39 -47.24 85.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.466 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 926' ' ' VAL . . . . . 0.465 HG11 ' OE2' ' B' ' 909' ' ' GLU . 97.7 t -65.44 -44.54 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.096 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.73 -48.61 81.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.232 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.89 -42.72 94.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.975 0.417 . . . . 0.0 110.636 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.463 ' O ' ' ND2' ' A' ' 933' ' ' ASN . 38.5 mt -63.54 -39.23 93.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.575 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.63 -42.15 98.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.215 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 14.9 p -61.55 -44.59 96.76 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.058 0.456 . . . . 0.0 110.968 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.35 -42.95 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 933' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 929' ' ' LEU . 62.8 m-80 -60.7 -39.96 90.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.838 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.91 -40.92 90.47 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.08 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 935' ' ' HIS . . . . . 0.521 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 80.1 t60 -59.94 -46.01 90.78 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.164 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 936' ' ' LEU . 4.1 mm? -69.3 -34.36 74.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.244 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 80.2 tt0 -61.1 -45.0 96.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.582 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -66.26 -42.09 88.99 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.272 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 939' ' ' GLU . . . . . 0.521 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 99.0 mt-10 -66.82 -51.11 59.46 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.239 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 940' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 936' ' ' LEU . 68.0 t -66.51 -45.53 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.617 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 941' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -58.22 -37.25 74.47 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.38 -44.72 96.68 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.499 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 943' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 943' ' ' LEU . 30.9 mt -66.15 -40.44 90.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.069 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -60.45 -37.94 82.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.724 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -53.29 -32.92 51.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.388 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 54.4 mt -60.78 -49.1 78.84 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.179 -0.609 . . . . 0.0 110.162 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 75.6 t -74.26 -42.38 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.035 0.445 . . . . 0.0 110.435 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . -176.67 -71.04 0.06 OUTLIER Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.601 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.953 0.406 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -55.37 -29.19 57.95 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.671 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -62.39 -45.23 94.06 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.621 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 887' ' ' GLN . . . . . 0.51 ' O ' HD13 ' B' ' 891' ' ' ILE . 49.9 mt-30 -66.5 -46.14 77.25 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.482 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.19 -46.37 96.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.215 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.95 -40.47 87.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.05 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.19 -41.97 89.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.853 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 891' ' ' ILE . . . . . 0.51 HD13 ' O ' ' B' ' 887' ' ' GLN . 1.3 mp -62.45 -42.25 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 66.7 mt -60.48 -41.6 94.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.229 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.23 -38.22 90.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.103 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.31 -39.98 95.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.17 -41.33 96.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.853 0.358 . . . . 0.0 110.064 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.7 -42.93 97.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.619 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.24 -47.81 63.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.179 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 29.7 mm -64.01 -43.71 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.9 -39.26 88.66 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.12 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.67 -43.57 98.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.4 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.26 -40.41 97.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.416 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -57.87 -46.44 84.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.944 0.402 . . . . 0.0 110.546 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.7 -38.18 86.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.069 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.59 -44.82 96.3 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.929 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -65.47 -45.28 84.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 906' ' ' GLU . . . . . 0.544 ' O ' HD13 ' B' ' 910' ' ' LEU . 80.7 mm-40 -66.72 -45.75 77.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.066 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -60.91 -38.21 84.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.511 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -64.22 -43.32 95.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.344 . . . . 0.0 110.535 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 909' ' ' GLU . . . . . 0.465 ' OE2' HG11 ' A' ' 926' ' ' VAL . 78.0 mm-40 -63.02 -38.53 91.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.281 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 910' ' ' LEU . . . . . 0.544 HD13 ' O ' ' B' ' 906' ' ' GLU . 8.5 mp -63.9 -41.17 97.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.229 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 9.3 t -62.24 -40.54 96.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.636 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.8 -40.84 98.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.104 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 77.4 m -61.68 -45.83 92.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.029 0.442 . . . . 0.0 110.172 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 914' ' ' GLU . . . . . 0.486 ' OE2' ' O ' ' B' ' 910' ' ' LEU . 1.1 mp0 -65.84 -45.08 83.56 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.27 96.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.683 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 916' ' ' SER . . . . . 0.409 ' O ' HD13 ' B' ' 920' ' ' LEU . 49.1 m -60.63 -39.39 88.09 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.288 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.61 -42.22 98.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.103 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -58.87 -42.33 89.17 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.575 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -61.35 -42.08 98.11 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.5 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 920' ' ' LEU . . . . . 0.409 HD13 ' O ' ' B' ' 916' ' ' SER . 8.0 mp -60.05 -38.71 83.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.77 -41.01 94.67 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.094 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.11 -38.41 91.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.805 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.14 -41.74 89.03 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.269 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -62.65 -41.69 99.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.186 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -62.58 -47.21 84.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.476 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 926' ' ' VAL . . . . . 0.471 HG11 ' OE2' ' A' ' 909' ' ' GLU . 96.3 t -65.53 -44.59 93.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.079 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -60.68 -48.71 80.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.9 -42.8 94.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.974 0.416 . . . . 0.0 110.704 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 929' ' ' LEU . . . . . 0.49 ' O ' ' ND2' ' B' ' 933' ' ' ASN . 38.7 mt -63.45 -39.27 94.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.6 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.61 -42.11 98.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.197 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 13.8 p -61.56 -44.52 96.88 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.053 0.454 . . . . 0.0 111.005 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.42 -42.99 91.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.527 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 933' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 929' ' ' LEU . 63.1 m-80 -60.62 -39.78 89.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.814 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.91 -41.0 90.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.127 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 935' ' ' HIS . . . . . 0.515 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 82.0 t60 -60.04 -45.82 91.57 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.149 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 936' ' ' LEU . . . . . 0.433 ' N ' HD22 ' B' ' 936' ' ' LEU . 4.2 mm? -69.18 -34.33 74.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.235 178.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 937' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 80.5 tt0 -61.22 -45.11 95.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.15 -42.13 89.48 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.201 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 939' ' ' GLU . . . . . 0.515 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.9 mt-10 -66.91 -51.25 57.63 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.379 -0.529 . . . . 0.0 111.177 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 940' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 936' ' ' LEU . 76.5 t -66.31 -45.35 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.659 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 941' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -58.48 -37.05 74.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -61.32 -44.76 96.67 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 33.4 mt -66.42 -40.24 89.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.064 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -60.31 -38.03 82.42 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.657 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -53.46 -33.1 52.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.68 -49.2 78.45 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.265 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 75.1 t -74.12 -42.38 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.105 0.479 . . . . 0.0 110.493 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . -176.68 -71.06 0.06 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.572 -179.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 88.3 mttt . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 120.572 0.225 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.49 -45.94 81.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.397 . . . . 0.0 110.233 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.91 -43.83 96.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -66.41 -38.28 87.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.087 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -63.19 -47.22 83.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.968 0.413 . . . . 0.0 110.586 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.18 -41.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.266 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 40.4 mt -57.96 -41.4 82.79 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.151 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -63.26 -38.35 90.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.944 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.64 -37.93 89.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.56 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . 0.571 ' HA ' ' HZ1' ' B' ' 944' ' ' LYS . 97.5 mt-10 -61.93 -40.14 94.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -63.46 -43.98 95.81 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.311 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -68.12 -42.18 80.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 5.0 mm -64.24 -44.0 97.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.745 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -60.07 -39.6 86.61 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.991 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 900' ' ' ASP . . . . . 0.406 ' HA ' ' HE ' ' A' ' 903' ' ' ARG . 68.3 t0 -62.14 -43.52 98.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.84 -41.48 99.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.539 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 902' ' ' GLN . . . . . 0.546 ' NE2' ' OE2' ' B' ' 937' ' ' GLU . 95.2 mm-40 -60.23 -47.21 86.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 903' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 907' ' ' ARG . 90.9 mtm180 -66.62 -39.39 88.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.508 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 84.7 mmm -63.83 -44.24 93.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.67 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 905' ' ' LYS . . . . . 0.466 ' NZ ' ' CD1' ' B' ' 930' ' ' LEU . 28.0 tttt -65.0 -47.71 76.54 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.795 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -67.27 -38.94 85.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.056 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 907' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 903' ' ' ARG . 13.6 mmm180 -60.71 -43.52 97.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.86 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . 0.458 ' OE1' HD12 ' B' ' 922' ' ' LEU . 97.6 mm-40 -64.96 -43.89 91.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.898 0.38 . . . . 0.0 110.604 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.39 -39.35 86.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.234 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.52 -38.71 92.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.316 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 67.6 m -61.54 -41.34 97.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.506 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.96 -41.63 99.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 70.6 m -60.32 -46.4 90.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.0 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.85 -38.01 89.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.303 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.21 94.81 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . 0.534 ' CA ' ' HZ2' ' B' ' 919' ' ' LYS . 42.1 t -63.1 -45.44 92.06 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.687 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -41.94 98.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.724 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -59.35 -41.69 89.78 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.173 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 919' ' ' LYS . . . . . 0.539 ' HZ2' ' CA ' ' B' ' 916' ' ' SER . 55.1 mtpt -60.1 -41.28 92.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.526 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.29 -38.56 83.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.29 -41.77 94.07 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.107 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 922' ' ' LEU . . . . . 0.494 HD12 ' OE1' ' B' ' 908' ' ' GLN . 4.1 mm? -62.27 -38.91 91.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.147 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.07 -39.52 82.35 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.514 -0.475 . . . . 0.0 110.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.09 -44.54 95.43 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.243 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.85 -46.4 78.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.903 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.11 -41.87 92.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.355 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -57.8 -48.95 78.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.969 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -68.58 -44.53 74.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.76 -40.48 97.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 930' ' ' LEU . . . . . 0.451 ' CD1' ' NZ ' ' B' ' 905' ' ' LYS . 5.8 tt -62.43 -43.9 97.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.165 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 67.3 m -63.62 -44.38 94.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.963 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.71 -43.72 88.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.394 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -59.91 -41.15 91.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.905 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 934' ' ' TYR . . . . . 0.484 ' CE2' ' ND2' ' A' ' 938' ' ' ASN . 90.7 t80 -60.36 -42.24 95.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.274 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 935' ' ' HIS . . . . . 0.513 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 86.8 t60 -65.47 -45.54 83.31 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.162 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 940' ' ' VAL . 10.4 mp -65.22 -37.77 88.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.282 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . 0.541 ' OE2' ' NE2' ' B' ' 902' ' ' GLN . 75.3 mt-10 -63.06 -44.49 95.67 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.769 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 938' ' ' ASN . . . . . 0.484 ' ND2' ' CE2' ' A' ' 934' ' ' TYR . 92.7 m-20 -62.91 -43.39 98.92 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.222 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 939' ' ' GLU . . . . . 0.513 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 98.8 mt-10 -72.01 -50.9 24.78 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.271 -0.572 . . . . 0.0 111.572 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 940' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 936' ' ' LEU . 95.8 t -64.57 -46.3 93.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 941' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.33 -36.42 75.63 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.22 -46.64 89.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.49 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.05 -34.28 73.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . 0.569 ' HZ1' ' HA ' ' B' ' 895' ' ' GLU . 3.4 tppt? -57.47 -36.84 71.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.244 -178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.9 -35.73 75.48 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.904 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.12 -50.78 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.466 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 86.4 t -80.32 -42.78 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.03 0.443 . . . . 0.0 110.8 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 165.54 106.97 0.2 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.612 -179.9 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.915 0.388 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -55.06 -29.5 57.62 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.976 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -62.77 -45.32 93.23 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.625 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -65.53 -46.0 81.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 110.352 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.94 -43.69 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -66.33 -38.61 88.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -63.05 -47.36 83.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.957 0.408 . . . . 0.0 110.545 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.13 -41.98 93.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.227 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 39.6 mt -58.01 -41.44 83.12 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.012 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -63.27 -38.26 90.46 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.977 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 894' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 894' ' ' LEU . 95.1 mt -63.51 -38.26 90.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.532 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 895' ' ' GLU . . . . . 0.569 ' HA ' ' HZ1' ' A' ' 944' ' ' LYS . 96.3 mt-10 -61.8 -40.24 94.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -63.32 -43.84 96.64 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.231 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.28 -42.11 80.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.25 -44.03 97.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.03 -39.93 87.59 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.274 -0.571 . . . . 0.0 110.009 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 900' ' ' ASP . . . . . 0.412 ' HA ' ' HE ' ' B' ' 903' ' ' ARG . 65.1 t0 -61.83 -43.45 98.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.594 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.04 -41.47 99.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.627 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 902' ' ' GLN . . . . . 0.541 ' NE2' ' OE2' ' A' ' 937' ' ' GLU . 94.8 mm-40 -60.16 -46.74 88.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 903' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' B' ' 907' ' ' ARG . 90.7 mtm180 -66.9 -39.55 87.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.49 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 84.0 mmm -63.62 -44.41 94.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.708 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 905' ' ' LYS . . . . . 0.451 ' NZ ' ' CD1' ' A' ' 930' ' ' LEU . 28.5 tttt -65.04 -47.81 76.07 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.883 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -67.15 -38.81 86.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 907' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 13.5 mmm180 -60.7 -43.88 97.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.874 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 908' ' ' GLN . . . . . 0.494 ' OE1' HD12 ' A' ' 922' ' ' LEU . 98.2 mm-40 -64.67 -43.57 93.15 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.606 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.56 -39.18 87.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.192 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.67 -38.77 92.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.151 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 73.6 m -61.47 -41.45 97.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.425 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.91 -41.62 99.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 74.2 m -60.43 -46.46 89.96 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.97 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.72 -37.89 89.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.249 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.12 95.09 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 916' ' ' SER . . . . . 0.539 ' CA ' ' HZ2' ' A' ' 919' ' ' LYS . 38.5 t -63.35 -45.16 92.47 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.66 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -42.07 98.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.707 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -59.39 -41.48 89.48 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.128 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 919' ' ' LYS . . . . . 0.534 ' HZ2' ' CA ' ' A' ' 916' ' ' SER . 55.4 mtpt -60.15 -41.57 93.04 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.634 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.08 -38.5 83.09 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.32 -41.81 94.29 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.161 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 922' ' ' LEU . . . . . 0.458 HD12 ' OE1' ' A' ' 908' ' ' GLN . 4.1 mm? -62.22 -38.89 90.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.183 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.02 -39.66 82.59 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.041 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.97 -44.4 96.15 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.288 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.86 -46.31 78.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.32 -42.01 92.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.372 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -57.67 -48.87 78.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.988 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -68.73 -44.35 74.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.96 -40.4 97.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.354 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 930' ' ' LEU . . . . . 0.466 ' CD1' ' NZ ' ' A' ' 905' ' ' LYS . 5.9 tt -62.49 -43.76 98.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.192 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 68.1 m -63.64 -44.45 93.83 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.868 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.02 -43.71 86.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.421 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -60.08 -40.82 90.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 934' ' ' TYR . . . . . 0.496 ' CE2' ' ND2' ' B' ' 938' ' ' ASN . 90.8 t80 -60.67 -42.59 97.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.319 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 935' ' ' HIS . . . . . 0.522 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 86.6 t60 -65.34 -45.46 84.12 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.037 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 936' ' ' LEU . . . . . 0.461 ' O ' HG23 ' B' ' 940' ' ' VAL . 10.5 mp -65.16 -37.44 87.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.291 179.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 937' ' ' GLU . . . . . 0.546 ' OE2' ' NE2' ' A' ' 902' ' ' GLN . 73.7 mt-10 -63.29 -44.46 94.97 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 938' ' ' ASN . . . . . 0.496 ' ND2' ' CE2' ' B' ' 934' ' ' TYR . 93.3 m-20 -63.01 -43.45 98.74 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.336 -0.546 . . . . 0.0 111.174 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 939' ' ' GLU . . . . . 0.522 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.9 mt-10 -71.85 -50.8 26.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.534 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 940' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 936' ' ' LEU . 91.7 t -64.64 -46.22 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.858 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 941' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.57 -36.04 75.43 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -60.19 -46.75 88.66 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.528 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.98 -35.05 74.14 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.845 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 944' ' ' LYS . . . . . 0.571 ' HZ1' ' HA ' ' A' ' 895' ' ' GLU . 3.4 tppt? -56.53 -36.77 69.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.239 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.1 -36.06 76.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.923 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 62.3 mt -58.14 -50.52 73.22 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.334 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.31 -42.82 21.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.055 0.455 . . . . 0.0 110.827 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 165.17 107.13 0.2 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.656 -179.916 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 45.7 mttp . . . . . 0 N--CA 1.444 -0.765 0 CA-C-O 120.524 0.202 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -64.3 -49.54 71.39 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 86.3 t -61.29 -47.36 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.241 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.92 -31.86 73.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.939 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -64.12 -45.3 89.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.33 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.73 -42.75 95.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.939 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.37 -39.6 80.04 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.272 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.75 -39.06 92.96 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.461 -0.495 . . . . 0.0 109.919 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 894' ' ' LEU . . . . . 0.498 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.2 mt -62.95 -37.8 88.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.482 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . 0.472 ' HA ' ' HZ1' ' B' ' 944' ' ' LYS . 97.5 mt-10 -63.16 -44.96 94.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.915 0.388 . . . . 0.0 110.366 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -68.16 -43.92 77.14 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -70.22 -51.04 33.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.382 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 898' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 894' ' ' LEU . 9.6 tp -59.9 -40.69 83.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.974 0.416 . . . . 0.0 110.044 -179.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 899' ' ' GLU . . . . . 0.524 ' CG ' ' NH1' ' A' ' 903' ' ' ARG . 81.0 tt0 -62.99 -38.76 92.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.252 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.56 -44.07 97.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.87 -40.48 96.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -58.49 -48.09 81.94 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.647 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 903' ' ' ARG . . . . . 0.524 ' NH1' ' CG ' ' A' ' 899' ' ' GLU . 59.3 mtt85 -64.99 -41.04 95.76 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.08 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 92.0 mtp -64.74 -46.63 81.39 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.19 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 905' ' ' LYS . . . . . 0.437 ' HZ3' ' HB2' ' B' ' 933' ' ' ASN . 99.5 mttt -67.13 -44.55 79.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.051 0.453 . . . . 0.0 110.575 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.49 -43.23 85.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 907' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 903' ' ' ARG . 20.5 mmt85 -63.07 -40.59 98.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -61.39 -45.96 92.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.334 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . 0.528 ' OE2' HD22 ' B' ' 930' ' ' LEU . 98.3 mt-10 -60.15 -39.15 85.34 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.571 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.67 -40.02 95.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.514 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 71.0 m -61.76 -41.58 97.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.68 -38.84 92.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 74.2 m -59.93 -45.11 93.67 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.076 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.72 -44.25 86.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.698 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.74 96.6 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 63.6 m -60.34 -40.34 90.33 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.373 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 917' ' ' LEU . 34.6 mt -61.6 -42.35 98.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.37 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -58.8 -42.29 88.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.195 0.521 . . . . 0.0 110.582 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -60.99 -42.66 98.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.621 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 7.7 mp -59.81 -38.02 80.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.976 0.417 . . . . 0.0 110.16 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.92 -42.87 98.97 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.493 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.28 -37.27 86.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.975 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.6 -38.63 85.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.093 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -66.35 -40.3 89.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.327 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . 0.497 ' O ' HD13 ' A' ' 929' ' ' LEU . 88.8 tttt -65.14 -52.07 57.41 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.482 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.6 -38.09 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.08 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -56.76 -44.76 82.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.249 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -63.72 -38.47 91.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.97 0.415 . . . . 0.0 110.297 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 925' ' ' LYS . 7.0 mp -63.01 -41.15 99.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.097 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 930' ' ' LEU . . . . . 0.544 HD22 ' OE2' ' B' ' 909' ' ' GLU . 41.7 tp -61.99 -42.51 99.23 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.135 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 72.6 p -58.8 -42.8 89.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.48 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.51 -38.72 91.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.984 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 933' ' ' ASN . . . . . 0.462 HD22 ' HZ2' ' B' ' 905' ' ' LYS . 7.3 t-20 -59.57 -41.32 89.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.974 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.05 -46.13 91.96 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.181 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 935' ' ' HIS . . . . . 0.523 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 86.3 t60 -65.58 -43.91 88.28 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.66 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.19 -39.37 93.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.374 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 41.3 mm-40 -59.82 -41.5 91.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.169 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.19 -41.79 96.95 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.672 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 939' ' ' GLU . . . . . 0.523 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 98.4 mt-10 -68.63 -50.54 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.72 -44.54 93.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.443 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 941' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.55 -37.95 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.885 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.26 -46.48 90.19 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.264 -0.575 . . . . 0.0 109.648 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 89.2 mt -70.0 -33.59 72.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.715 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . 0.483 ' HZ1' ' HA ' ' B' ' 895' ' ' GLU . 2.8 tppt? -58.19 -37.25 74.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.41 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.88 -34.62 74.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.76 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.65 -45.39 92.15 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.468 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 98.4 t -88.64 -42.04 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 0.0 110.62 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 167.97 107.14 0.2 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.577 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.928 0.394 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -54.23 -29.93 48.28 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.77 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -63.08 -45.25 93.01 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.689 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -64.44 -49.46 71.37 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.037 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 85.5 t -61.29 -47.23 94.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.121 0.486 . . . . 0.0 110.187 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.96 -31.6 72.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.93 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -64.32 -45.65 86.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.341 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.46 -42.74 95.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.855 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.36 -39.65 80.13 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.284 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.58 -38.73 91.27 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.101 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 894' ' ' LEU . . . . . 0.492 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.2 mt -63.51 -38.18 90.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.52 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 895' ' ' GLU . . . . . 0.483 ' HA ' ' HZ1' ' A' ' 944' ' ' LYS . 96.3 mt-10 -62.71 -45.02 94.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.903 0.383 . . . . 0.0 110.336 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -67.95 -44.02 77.71 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.35 -51.24 31.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.37 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 898' ' ' ILE . . . . . 0.492 HG22 ' O ' ' B' ' 894' ' ' LEU . 9.6 tp -59.55 -40.54 82.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.046 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 899' ' ' GLU . . . . . 0.523 ' CG ' ' NH1' ' B' ' 903' ' ' ARG . 81.4 tt0 -63.3 -38.33 90.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.191 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.87 -43.98 97.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.87 -40.71 97.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.616 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -58.42 -48.11 81.74 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.684 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 903' ' ' ARG . . . . . 0.523 ' NH1' ' CG ' ' B' ' 899' ' ' GLU . 58.3 mtt85 -64.97 -40.9 95.68 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.119 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 91.4 mtp -64.82 -46.6 81.29 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.167 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 905' ' ' LYS . . . . . 0.462 ' HZ2' HD22 ' A' ' 933' ' ' ASN . 99.5 mttt -67.08 -44.55 79.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 110.725 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.39 -43.18 86.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 907' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 21.0 mmt85 -62.97 -40.48 97.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -61.62 -46.09 91.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.428 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 909' ' ' GLU . . . . . 0.544 ' OE2' HD22 ' A' ' 930' ' ' LEU . 99.3 mt-10 -59.95 -38.79 83.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.988 0.423 . . . . 0.0 110.559 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.8 -40.3 96.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.556 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 74.1 m -61.72 -41.54 97.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.337 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.92 -39.03 93.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.295 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 71.8 m -59.7 -45.01 93.42 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.994 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.82 -44.63 85.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.55 97.45 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.932 0.396 . . . . 0.0 110.694 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 70.3 m -60.56 -40.63 92.33 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.458 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 917' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 917' ' ' LEU . 34.1 mt -61.5 -42.15 98.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -59.03 -42.37 90.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.138 0.494 . . . . 0.0 110.489 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -60.71 -42.83 98.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.638 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 7.8 mp -59.81 -37.95 80.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.141 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.85 -43.08 98.81 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.493 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.03 -36.77 84.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.101 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.08 -38.9 87.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.216 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -66.23 -39.82 89.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.399 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 925' ' ' LYS . . . . . 0.484 ' O ' HD13 ' B' ' 929' ' ' LEU . 88.9 tttt -65.45 -51.98 56.37 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.502 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 926' ' ' VAL . . . . . 0.402 HG13 ' N ' ' B' ' 927' ' ' GLU . 8.3 p -66.95 -37.81 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.089 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 927' ' ' GLU . . . . . 0.402 ' N ' HG13 ' B' ' 926' ' ' VAL . 33.9 tp10 -56.99 -44.32 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -64.05 -38.68 91.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.338 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 929' ' ' LEU . . . . . 0.484 HD13 ' O ' ' B' ' 925' ' ' LYS . 7.0 mp -62.93 -41.18 99.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.198 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 930' ' ' LEU . . . . . 0.528 HD22 ' OE2' ' A' ' 909' ' ' GLU . 42.8 tp -61.9 -42.56 99.22 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.043 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 63.1 p -58.88 -42.61 89.93 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.13 0.491 . . . . 0.0 110.385 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.66 -38.82 91.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.046 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 933' ' ' ASN . . . . . 0.437 ' HB2' ' HZ3' ' A' ' 905' ' ' LYS . 7.6 t-20 -59.57 -41.15 89.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.011 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.05 -46.12 91.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.105 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 935' ' ' HIS . . . . . 0.513 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 86.3 t60 -65.47 -44.04 88.4 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.78 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.21 -39.5 94.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.281 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 937' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 41.1 mm-40 -59.43 -41.68 90.16 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.284 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -63.92 -41.93 97.53 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.723 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 939' ' ' GLU . . . . . 0.513 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.5 mt-10 -68.48 -50.44 52.34 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.984 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.07 -44.6 91.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.445 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 941' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.13 -38.3 79.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.774 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.25 -46.42 90.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.733 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.01 -33.22 71.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.821 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 944' ' ' LYS . . . . . 0.472 ' HZ1' ' HA ' ' A' ' 895' ' ' GLU . 2.7 tppt? -58.56 -37.29 75.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.297 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -60.93 -34.1 74.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.776 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.22 -44.08 95.46 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.392 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 98.3 t -90.22 -41.85 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.543 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 168.06 107.12 0.2 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.523 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 90.4 mttt . . . . . 0 N--CA 1.445 -0.716 0 CA-C-O 120.554 0.216 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.47 -46.17 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.05 0.452 . . . . 0.0 110.321 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.99 -44.42 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.277 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -67.23 -41.62 85.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.595 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -65.07 -49.61 69.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.033 0.444 . . . . 0.0 110.819 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.44 -41.76 93.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.053 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 57.4 tp -55.81 -42.76 76.12 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.13 -39.86 94.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.5 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 894' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 898' ' ' ILE . 95.8 mt -63.0 -39.79 95.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.938 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.99 -41.54 90.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.175 0.512 . . . . 0.0 110.223 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.22 -45.1 67.25 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.829 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.59 -48.86 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.713 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 898' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 894' ' ' LEU . 10.2 tp -61.49 -42.18 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.118 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 899' ' ' GLU . . . . . 0.471 ' N ' HG23 ' A' ' 898' ' ' ILE . 87.4 mt-10 -61.87 -38.6 88.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.846 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.37 -43.89 98.09 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.374 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.02 -41.33 86.82 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.902 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 902' ' ' GLN . . . . . 0.432 HE21 ' HG2' ' B' ' 937' ' ' GLU . 85.8 mt-30 -62.45 -39.39 93.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 903' ' ' ARG . . . . . 0.686 ' NH2' HH21 ' A' ' 907' ' ' ARG . 16.8 mmm180 -62.95 -45.48 92.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 91.3 mtp -65.68 -41.82 92.0 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.681 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -61.15 -45.96 92.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.508 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.45 -40.09 92.8 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.897 0.379 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 907' ' ' ARG . . . . . 0.686 HH21 ' NH2' ' A' ' 903' ' ' ARG . 95.1 mtt-85 -69.34 -39.28 78.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.335 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . 0.485 ' O ' HD13 ' A' ' 912' ' ' LEU . 74.5 mm-40 -63.23 -48.61 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.089 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -68.39 -36.51 79.26 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.098 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.79 -43.02 99.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.334 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 70.3 m -62.33 -42.59 99.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.274 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 912' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 908' ' ' GLN . 7.3 mp -63.62 -37.67 88.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.354 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -60.52 -47.18 87.27 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.074 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.19 -45.65 80.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 915' ' ' ALA . . . . . 0.477 ' HB1' ' NZ ' ' B' ' 919' ' ' LYS . . . -64.95 -39.09 92.97 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.813 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 40.9 t -60.78 -41.41 95.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.297 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 917' ' ' LEU . 33.9 mt -61.06 -41.27 96.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.106 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -60.16 -39.42 86.35 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.433 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 919' ' ' LYS . . . . . 0.467 ' NZ ' ' HB1' ' B' ' 915' ' ' ALA . 69.1 mmtt -62.37 -42.45 99.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.727 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.62 -39.51 84.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.72 -41.37 95.13 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.078 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.31 -39.54 93.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.999 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -58.69 -39.52 80.94 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.126 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.33 -43.02 99.79 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.043 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.85 -48.62 76.02 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.752 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.35 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -57.44 -48.93 77.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.061 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.55 -46.86 77.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.305 . . . . 0.0 111.32 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.78 -39.35 94.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.03 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.53 -43.39 98.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.736 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 8.4 p -62.16 -43.98 97.62 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.659 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 932' ' ' LYS . . . . . 0.423 ' O ' HD13 ' A' ' 936' ' ' LEU . 63.4 mttm -65.85 -41.32 91.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.533 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -60.78 -41.77 96.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.055 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -62.24 -45.55 92.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.837 0.351 . . . . 0.0 110.259 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -65.13 -44.79 87.53 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.868 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 940' ' ' VAL . 9.6 mp -64.68 -39.81 94.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.167 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . 0.442 ' HG2' HE21 ' B' ' 902' ' ' GLN . 70.6 mt-10 -56.83 -42.48 79.73 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.96 -40.51 91.34 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.01 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.35 -52.52 53.23 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.297 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 940' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 941' ' ' ALA . 22.0 m -67.53 -41.17 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.113 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 941' ' ' ALA . . . . . 0.49 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -60.17 -42.06 94.19 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.145 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.78 -47.97 82.77 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.877 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 99.5 mt -69.48 -39.27 77.78 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.063 0.458 . . . . 0.0 111.734 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 949' ' ' GLU . 45.5 mtpt -60.71 -38.91 86.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.435 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -60.38 -38.04 82.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.16 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.21 -44.43 96.6 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.43 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 61.2 t -71.11 -42.42 76.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.584 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.64 45.55 0.03 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 944' ' ' LYS . 97.5 mt-10 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.972 0.415 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -54.87 -28.93 53.88 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.659 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -61.9 -45.38 94.0 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.515 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -67.19 -46.75 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.14 0.495 . . . . 0.0 110.411 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.43 -44.71 99.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.287 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.1 -41.45 86.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.669 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.12 -49.49 69.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 110.799 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.41 -41.77 93.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.004 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 57.7 tp -55.97 -42.82 76.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.35 -39.64 94.29 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.407 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 894' ' ' LEU . . . . . 0.482 ' O ' HG22 ' B' ' 898' ' ' ILE . 95.8 mt -62.88 -39.86 95.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.86 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.12 -41.74 90.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.127 0.489 . . . . 0.0 110.169 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.83 -44.84 69.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.022 0.439 . . . . 0.0 110.893 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -69.1 -49.0 61.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.627 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 898' ' ' ILE . . . . . 0.482 HG22 ' O ' ' B' ' 894' ' ' LEU . 10.0 tp -61.35 -41.99 91.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.107 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 899' ' ' GLU . . . . . 0.464 ' N ' HG23 ' B' ' 898' ' ' ILE . 88.7 mt-10 -61.92 -38.85 89.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.46 -43.71 98.39 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.331 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.84 -41.41 87.44 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.937 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 902' ' ' GLN . . . . . 0.442 HE21 ' HG2' ' A' ' 937' ' ' GLU . 86.1 mt-30 -62.4 -39.53 93.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.345 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 903' ' ' ARG . . . . . 0.677 ' NH2' HH21 ' B' ' 907' ' ' ARG . 17.1 mmm180 -62.74 -45.44 92.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 92.1 mtp -65.75 -41.82 91.67 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.694 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.09 -45.87 92.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.549 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.56 -40.07 92.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.959 0.409 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 907' ' ' ARG . . . . . 0.677 HH21 ' NH2' ' B' ' 903' ' ' ARG . 95.2 mtt-85 -69.28 -39.22 78.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.286 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 908' ' ' GLN . . . . . 0.491 ' O ' HD13 ' B' ' 912' ' ' LEU . 75.3 mm-40 -63.39 -48.55 77.42 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.153 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -68.36 -36.52 79.33 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.119 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.0 -42.86 99.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.233 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 69.1 m -62.39 -42.6 99.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.226 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 912' ' ' LEU . . . . . 0.491 HD13 ' O ' ' B' ' 908' ' ' GLN . 7.3 mp -63.69 -37.69 88.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.366 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 73.0 m -60.39 -47.22 87.01 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.062 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.2 -45.73 79.76 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.08 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 915' ' ' ALA . . . . . 0.467 ' HB1' ' NZ ' ' A' ' 919' ' ' LYS . . . -64.9 -39.12 93.03 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.778 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 44.5 t -60.65 -41.35 94.79 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.287 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 917' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' B' ' 917' ' ' LEU . 33.2 mt -61.05 -41.29 96.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.107 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -60.24 -39.33 86.32 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.458 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 919' ' ' LYS . . . . . 0.477 ' NZ ' ' HB1' ' A' ' 915' ' ' ALA . 69.2 mmtt -62.47 -42.42 99.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.697 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.54 -39.69 84.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.67 -41.32 94.82 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.155 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.31 -39.61 93.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.081 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -58.47 -39.48 80.07 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.125 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.39 -43.43 98.84 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.985 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.52 -48.36 77.87 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.737 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 88.5 t -64.47 -40.83 90.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.076 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -57.15 -49.0 77.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.044 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.48 -46.99 77.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.759 0.314 . . . . 0.0 111.344 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.76 -39.21 93.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.926 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.6 -43.43 98.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.779 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 6.5 p -62.33 -43.74 98.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.612 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 932' ' ' LYS . . . . . 0.43 ' O ' HD13 ' B' ' 936' ' ' LEU . 63.4 mttm -65.98 -41.54 91.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.657 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -60.73 -41.8 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.086 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -62.13 -45.75 92.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.904 0.383 . . . . 0.0 110.443 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -64.98 -44.69 88.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.892 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 936' ' ' LEU . . . . . 0.47 ' O ' HG22 ' B' ' 940' ' ' VAL . 9.6 mp -64.81 -39.75 94.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.137 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 937' ' ' GLU . . . . . 0.432 ' HG2' HE21 ' A' ' 902' ' ' GLN . 70.1 mt-10 -56.62 -42.53 78.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.184 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -66.09 -40.6 90.91 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.024 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.12 -52.3 56.13 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.298 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 940' ' ' VAL . . . . . 0.486 HG23 ' N ' ' B' ' 941' ' ' ALA . 21.2 m -67.63 -41.16 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.11 179.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 941' ' ' ALA . . . . . 0.486 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -60.2 -42.18 94.56 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.271 -0.571 . . . . 0.0 110.165 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -61.77 -47.91 83.05 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.809 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.54 -39.18 77.62 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 111.694 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 944' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' B' ' 949' ' ' GLU . 45.5 mtpt -60.75 -38.88 86.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.45 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -60.32 -37.94 82.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.224 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.39 -44.3 96.78 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.457 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 71.0 t -71.15 -42.56 75.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.575 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.02 45.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 944' ' ' LYS . 97.0 mt-10 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.615 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 886' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 887' ' ' GLN . 24.1 pttm . . . . . 0 N--CA 1.445 -0.703 0 CA-C-O 120.739 0.304 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 886' ' ' LYS . 54.4 tt0 -68.01 -39.48 83.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.455 0.645 . . . . 0.0 110.391 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.82 -40.37 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.678 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -66.69 -45.54 78.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.763 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -67.15 -40.33 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.275 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 2.1 tp -65.04 -38.21 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.589 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.67 -41.02 96.98 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.159 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -62.45 -37.88 87.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.503 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.49 -38.66 92.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.196 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . 0.673 ' HA ' ' HZ1' ' B' ' 944' ' ' LYS . 98.2 mt-10 -60.92 -41.22 95.75 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.34 -44.07 95.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -69.9 -45.69 67.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 5.2 mm -63.39 -44.39 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.4 -40.84 92.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.211 -0.595 . . . . 0.0 110.146 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.46 -42.48 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.6 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.22 -39.63 95.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.379 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -59.0 -42.37 89.93 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.633 -0.427 . . . . 0.0 109.927 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -64.58 -41.82 96.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.094 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 97.1 mmm -63.3 -47.05 83.92 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.033 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 905' ' ' LYS . . . . . 0.427 ' HZ2' ' HG ' ' B' ' 930' ' ' LEU . 23.5 tttt -66.75 -46.54 75.06 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.675 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.69 -43.67 92.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.705 0.288 . . . . 0.0 111.076 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -64.24 -40.67 96.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.878 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.31 -43.48 94.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.851 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.78 -39.38 93.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 110.081 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.16 -40.47 96.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.474 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 39.1 t -63.06 -42.47 99.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.664 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.4 mt -63.31 -39.54 94.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -61.69 -46.42 89.77 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.79 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.29 -44.29 83.93 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.66 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.29 93.79 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.749 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 73.0 m -60.69 -39.54 88.86 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 29.3 mt -61.88 -42.44 99.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.46 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -61.82 -45.15 95.06 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.964 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -61.21 -40.36 93.69 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.075 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.35 -39.2 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.8 -41.55 95.86 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.874 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.1 -38.89 90.58 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.309 -0.557 . . . . 0.0 109.749 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -59.97 -39.12 84.57 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.264 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.53 -43.74 98.07 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.092 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.94 -46.03 86.54 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.072 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 83.8 t -66.65 -43.42 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.331 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -57.63 -48.18 80.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.02 -41.05 87.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.516 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.98 -41.53 99.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.763 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 930' ' ' LEU . . . . . 0.426 ' HG ' ' HZ2' ' B' ' 905' ' ' LYS . 5.1 tt -61.9 -43.83 98.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 42.4 t -63.38 -44.58 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.788 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.88 -43.4 83.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.255 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 933' ' ' ASN . . . . . 0.524 ' ND2' ' OE2' ' A' ' 937' ' ' GLU . 47.4 t30 -63.19 -41.15 99.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.654 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 934' ' ' TYR . . . . . 0.497 ' CZ ' ' OD1' ' A' ' 938' ' ' ASN . 67.9 t80 -60.68 -43.43 97.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.441 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -65.6 -44.35 86.83 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.587 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.13 -40.59 94.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 937' ' ' GLU . . . . . 0.524 ' OE2' ' ND2' ' A' ' 933' ' ' ASN . 92.0 mt-10 -63.04 -43.27 99.14 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 938' ' ' ASN . . . . . 0.497 ' OD1' ' CZ ' ' A' ' 934' ' ' TYR . 11.7 m120 -63.72 -42.13 97.96 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.367 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.49 -51.23 37.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.319 0.58 . . . . 0.0 111.21 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 64.7 t -66.86 -43.66 89.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.697 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 941' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.37 -36.84 76.52 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.79 -46.39 90.66 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 99.1 mt -69.26 -34.32 74.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.086 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . 0.651 ' HZ1' ' HA ' ' B' ' 895' ' ' GLU . 3.9 tppt? -57.15 -38.37 73.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.118 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.79 -33.3 71.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.098 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.57 -49.12 78.81 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.474 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.29 -42.74 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 166.36 108.3 0.21 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.764 -179.767 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 . . . . . 0 N--CA 1.462 0.168 0 CA-C-O 120.933 0.397 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -53.12 -28.54 26.24 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 886' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' B' ' 887' ' ' GLN . 24.1 pttm -61.5 -45.14 95.48 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.716 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 887' ' ' GLN . . . . . 0.446 ' N ' ' CG ' ' B' ' 886' ' ' LYS . 54.8 tt0 -68.16 -39.59 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.425 0.631 . . . . 0.0 110.4 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 56.2 t -70.74 -40.4 76.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.732 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -66.51 -45.53 79.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.727 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.22 -40.31 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.277 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 2.1 tp -64.95 -38.32 82.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.62 -41.09 96.98 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.197 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -62.53 -37.68 87.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.538 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.56 -38.61 91.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.294 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 895' ' ' GLU . . . . . 0.651 ' HA ' ' HZ1' ' A' ' 944' ' ' LYS . 98.1 mt-10 -60.91 -41.22 95.71 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.861 0.362 . . . . 0.0 110.147 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.39 -43.97 96.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.598 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -69.95 -45.73 66.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 5.3 mm -63.43 -44.3 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.47 -40.78 92.49 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.129 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.49 -42.48 98.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.519 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.23 -39.58 95.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.393 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -59.03 -42.58 90.53 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.703 -0.399 . . . . 0.0 109.941 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -64.61 -41.52 96.15 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.201 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.45 -46.99 83.71 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.003 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 905' ' ' LYS . . . . . 0.426 ' HZ2' ' HG ' ' A' ' 930' ' ' LEU . 23.2 tttt -66.76 -46.53 75.08 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.645 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -64.62 -43.81 92.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.734 0.302 . . . . 0.0 111.073 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -64.17 -40.71 96.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -64.36 -43.45 94.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.76 -39.6 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.436 . . . . 0.0 110.036 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 63.5 mt -63.97 -40.57 96.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.466 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 38.4 t -62.87 -42.6 99.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 0.0 110.755 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.27 -39.64 95.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.597 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 72.2 m -61.54 -46.41 90.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.28 -44.39 83.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.594 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.3 94.07 Favored 'General case' 0 CA--C 1.512 -0.502 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.767 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 74.1 m -60.63 -39.71 89.29 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.055 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 917' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 917' ' ' LEU . 29.4 mt -61.94 -42.25 98.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.515 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -61.96 -45.07 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.006 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -61.16 -40.47 93.97 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.994 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.36 -39.19 78.88 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -60.75 -41.61 95.78 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.986 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.92 -39.05 90.69 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.783 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -59.88 -39.05 83.99 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.216 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.57 -43.82 97.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.041 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.9 -46.1 86.35 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.065 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 83.6 t -66.64 -43.46 90.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.38 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -57.56 -48.23 79.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.04 -41.03 87.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.749 0.309 . . . . 0.0 110.472 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.0 -41.38 99.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.796 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 930' ' ' LEU . . . . . 0.427 ' HG ' ' HZ2' ' A' ' 905' ' ' LYS . 5.0 tt -62.06 -43.81 98.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 42.2 t -63.24 -44.64 94.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.82 -43.38 83.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 933' ' ' ASN . . . . . 0.512 ' ND2' ' OE2' ' B' ' 937' ' ' GLU . 47.6 t30 -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.683 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 934' ' ' TYR . . . . . 0.51 ' CZ ' ' OD1' ' B' ' 938' ' ' ASN . 68.5 t80 -60.5 -43.56 96.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -65.6 -44.29 87.05 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.602 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.16 -40.49 94.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.52 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 937' ' ' GLU . . . . . 0.512 ' OE2' ' ND2' ' B' ' 933' ' ' ASN . 92.4 mt-10 -63.1 -43.33 98.78 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 938' ' ' ASN . . . . . 0.51 ' OD1' ' CZ ' ' B' ' 934' ' ' TYR . 11.6 m120 -63.7 -42.04 98.03 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.315 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.38 -51.34 37.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.523 0.678 . . . . 0.0 111.35 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 64.3 t -66.91 -43.59 89.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.68 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 941' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.44 -36.91 76.81 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.72 -46.4 90.55 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 99.1 mt -69.31 -34.43 74.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.017 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 944' ' ' LYS . . . . . 0.673 ' HZ1' ' HA ' ' A' ' 895' ' ' GLU . 3.8 tppt? -57.07 -38.27 73.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.19 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.8 -33.26 71.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.65 -49.05 79.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.434 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.25 -42.9 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.147 0.498 . . . . 0.0 110.462 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 166.49 108.23 0.21 Allowed Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.818 -179.87 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 43.2 t -64.41 144.43 57.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.785 0.326 . . . . 0.0 110.586 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -67.37 -36.32 81.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -57.48 -20.15 28.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.848 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -54.12 -28.7 41.35 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -62.47 -45.55 92.51 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 119.455 -0.898 . . . . 0.0 110.521 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -66.06 -46.77 76.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.957 0.408 . . . . 0.0 110.215 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.17 -44.39 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.938 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.1 -34.86 77.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . 0.434 ' HA ' ' HE ' ' A' ' 893' ' ' ARG . 84.3 tt0 -63.78 -48.96 74.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.601 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.23 -40.98 91.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.859 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 49.1 tp -56.14 -42.4 76.87 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.84 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 893' ' ' ARG . . . . . 0.434 ' HE ' ' HA ' ' A' ' 890' ' ' GLU . 88.0 mtm180 -64.15 -41.24 97.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.987 0.423 . . . . 0.0 110.492 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.75 -41.41 98.02 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.673 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.38 -44.16 97.11 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.465 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.43 -46.59 82.53 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.241 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -68.28 -47.71 66.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.752 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 898' ' ' ILE . . . . . 0.469 HD11 HG11 ' B' ' 940' ' ' VAL . 26.4 mm -62.5 -43.0 97.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 899' ' ' GLU . . . . . 0.479 ' OE2' ' NH2' ' A' ' 903' ' ' ARG . 83.9 tt0 -56.33 -40.6 74.68 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.871 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.04 -46.47 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.68 -40.07 94.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.669 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -59.07 -44.76 91.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.305 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 903' ' ' ARG . . . . . 0.479 ' NH2' ' OE2' ' A' ' 899' ' ' GLU . 99.5 mtt180 -65.54 -37.48 86.84 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 89.2 mtp -60.97 -42.02 97.5 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.32 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -65.15 -45.51 84.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.894 0.378 . . . . 0.0 110.531 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.23 -40.42 90.25 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.989 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -61.31 -42.98 99.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.457 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -63.61 -42.53 98.22 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.836 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.08 -38.72 83.74 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.26 0.552 . . . . 0.0 110.07 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.41 -37.98 89.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.985 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 44.8 t -61.43 -41.39 97.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.325 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.95 -42.2 99.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.323 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 76.9 m -61.77 -45.87 92.03 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.12 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.66 -37.51 86.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.298 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.4 -46.1 89.62 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.733 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 39.6 t -62.07 -44.48 96.59 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.277 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 35.0 mt -61.42 -41.29 96.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.214 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -61.47 -39.33 90.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.481 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -60.82 -44.69 96.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.692 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 10.3 mp -60.81 -38.62 86.0 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -60.09 -40.28 89.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.986 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.46 -38.54 91.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.757 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.09 -41.04 87.08 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.193 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -64.04 -45.23 89.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.626 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.8 -47.54 71.77 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 121.042 0.449 . . . . 0.0 110.653 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.28 -42.22 95.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.142 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -57.65 -49.14 77.44 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.362 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.01 -47.31 65.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.371 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.46 -40.44 97.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.348 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 930' ' ' LEU . . . . . 0.701 HD23 ' C ' ' A' ' 930' ' ' LEU . 7.0 tt -62.34 -44.02 97.46 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.95 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 48.8 m -63.3 -44.55 94.68 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.978 0.418 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.25 -41.34 90.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.41 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.82 -39.79 90.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.79 -43.16 99.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.631 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.31 -46.62 89.54 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.461 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.48 ' O ' HG22 ' A' ' 940' ' ' VAL . 10.9 mp -67.95 -35.74 78.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.764 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 84.4 tt0 -55.98 -42.02 75.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.04 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.93 -40.46 79.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.435 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -63.38 -52.55 61.23 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.279 -0.569 . . . . 0.0 111.186 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 940' ' ' VAL . . . . . 0.594 HG23 ' N ' ' A' ' 941' ' ' ALA . 19.5 m -67.67 -44.25 86.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.628 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.594 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -56.02 -40.19 73.05 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.795 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -62.17 -45.53 93.01 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 119.919 -0.712 . . . . 0.0 109.857 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.38 -38.14 89.1 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.348 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 949' ' ' GLU . 2.4 mptm? -56.08 -37.08 68.83 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.72 -36.87 77.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.5 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 946' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 946' ' ' LEU . 9.5 mp -59.92 -45.85 91.24 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.132 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 57.4 t -71.52 -42.65 72.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.67 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 948' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 949' ' ' GLU . . . 154.39 40.9 0.02 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 948' ' ' GLY . 82.5 tt0 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.501 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 41.1 t -65.83 144.78 56.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.642 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -66.77 -36.49 82.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.688 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.27 -20.17 26.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.963 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -54.25 -28.99 45.2 Favored 'General case' 0 CA--C 1.506 -0.75 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.828 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -62.47 -45.46 92.92 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.49 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -65.96 -46.5 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.273 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.61 -44.79 99.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.929 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.53 -34.9 78.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 890' ' ' GLU . . . . . 0.433 ' HA ' ' HE ' ' B' ' 893' ' ' ARG . 83.3 tt0 -63.6 -48.96 75.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.447 . . . . 0.0 110.555 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.13 -41.43 92.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.747 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.87 -42.3 75.67 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.894 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . 0.433 ' HE ' ' HA ' ' B' ' 890' ' ' GLU . 88.3 mtm180 -64.6 -41.16 96.41 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.506 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.63 -41.64 98.24 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.425 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.88 -44.47 96.74 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.529 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.54 -46.68 81.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.338 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -68.15 -47.71 67.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.799 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 898' ' ' ILE . . . . . 0.455 HD11 HG11 ' A' ' 940' ' ' VAL . 26.7 mm -62.27 -42.9 97.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 899' ' ' GLU . . . . . 0.471 ' OE2' ' NH2' ' B' ' 903' ' ' ARG . 84.0 tt0 -56.45 -40.73 75.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.896 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.04 -46.69 88.06 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.35 -40.37 95.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.826 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -59.04 -44.44 91.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.91 0.386 . . . . 0.0 110.263 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 903' ' ' ARG . . . . . 0.471 ' NH2' ' OE2' ' B' ' 899' ' ' GLU . 99.6 mtt180 -65.63 -37.23 86.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.451 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 88.9 mtp -60.95 -42.21 97.81 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.257 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -65.2 -45.49 84.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.965 0.412 . . . . 0.0 110.685 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.14 -40.58 90.7 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.105 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -61.24 -42.71 99.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.561 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -63.74 -42.44 97.87 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.776 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.17 -39.28 85.89 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.173 0.511 . . . . 0.0 110.043 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.11 -37.84 88.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.029 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 39.3 t -61.59 -41.31 97.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.277 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.9 -42.38 99.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.337 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 71.9 m -61.93 -45.43 93.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.153 0.501 . . . . 0.0 109.995 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.54 -37.47 86.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.052 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.16 89.9 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 42.1 t -62.01 -44.57 96.44 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.31 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.64 -40.79 96.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.197 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -62.03 -39.59 92.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.425 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -60.57 -44.3 96.33 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.775 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.75 -38.75 86.25 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.623 -0.431 . . . . 0.0 109.935 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.25 -40.51 90.58 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.231 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.52 -38.0 89.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.92 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -59.16 -41.07 87.49 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.252 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -63.99 -45.31 89.58 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.589 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.31 -47.61 72.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-O 121.043 0.449 . . . . 0.0 110.586 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.25 -42.21 95.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.119 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -57.61 -49.09 77.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.331 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -69.29 -47.4 64.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.711 0.291 . . . . 0.0 111.545 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.48 -40.35 96.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.23 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 930' ' ' LEU . . . . . 0.693 ' C ' HD23 ' B' ' 930' ' ' LEU . 7.1 tt -62.41 -43.91 97.69 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.896 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 53.1 m -63.44 -44.26 95.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.993 0.425 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.24 -41.44 90.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.278 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.72 -40.41 92.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.767 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.35 -42.68 99.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.701 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -61.55 -46.63 89.09 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.49 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 936' ' ' LEU . . . . . 0.466 ' O ' HG22 ' B' ' 940' ' ' VAL . 10.9 mp -68.31 -35.31 77.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.69 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 937' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 83.8 tt0 -55.73 -42.87 75.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.837 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.09 -40.44 82.63 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.361 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -63.68 -52.74 59.31 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.227 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 940' ' ' VAL . . . . . 0.57 HG23 ' N ' ' B' ' 941' ' ' ALA . 18.5 m -67.8 -43.68 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.565 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 941' ' ' ALA . . . . . 0.57 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -56.08 -40.72 74.05 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.839 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -62.04 -45.57 92.98 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.961 -0.696 . . . . 0.0 109.704 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.06 -38.83 92.1 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.492 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 944' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' B' ' 949' ' ' GLU . 2.4 mptm? -55.4 -37.36 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.68 -36.72 77.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.494 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 946' ' ' LEU . . . . . 0.558 ' N ' HD12 ' B' ' 946' ' ' LEU . 9.3 mp -60.07 -45.61 92.31 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.215 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 52.9 t -71.39 -42.64 73.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.59 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 154.11 41.3 0.02 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' B' ' 944' ' ' LYS . 84.1 tt0 . . . . . 0 C--O 1.217 -0.606 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.51 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . 0.621 ' H ' ' ND2' ' A' ' 885' ' ' ASN . 48.4 t -157.36 153.72 27.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.537 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -67.49 -37.74 83.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -55.37 -19.85 10.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.704 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 885' ' ' ASN . . . . . 0.621 ' ND2' ' H ' ' A' ' 882' ' ' SER . 98.3 m-20 -52.98 -29.47 29.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.991 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -62.93 -45.6 91.7 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.765 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.461 ' O ' HD13 ' A' ' 891' ' ' ILE . 88.3 mt-30 -64.95 -49.48 70.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.962 0.41 . . . . 0.0 109.947 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.74 -44.84 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.021 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -66.93 -35.54 80.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.756 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.46 -44.54 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.42 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 891' ' ' ILE . . . . . 0.461 HD13 ' O ' ' A' ' 887' ' ' GLN . 1.5 mp -62.51 -43.22 98.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.134 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 78.4 mt -59.54 -40.12 86.21 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.474 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.16 -38.42 91.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.047 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 894' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.4 mt -63.79 -38.77 92.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.606 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.22 -41.36 97.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 110.175 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.62 -45.0 63.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.147 0.498 . . . . 0.0 110.862 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -67.68 -48.73 65.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.306 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 898' ' ' ILE . . . . . 0.471 HG22 ' O ' ' A' ' 894' ' ' LEU . 10.1 tp -61.39 -41.81 91.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.12 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 899' ' ' GLU . . . . . 0.457 ' N ' HG23 ' A' ' 898' ' ' ILE . 82.3 tt0 -59.54 -38.6 81.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.911 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 900' ' ' ASP . . . . . 0.417 ' HA ' ' HE ' ' A' ' 903' ' ' ARG . 64.0 t0 -61.13 -43.77 98.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.233 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.03 -39.14 93.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.423 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -59.47 -46.67 88.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.77 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 903' ' ' ARG . . . . . 0.417 ' HE ' ' HA ' ' A' ' 900' ' ' ASP . 86.8 mtm180 -65.17 -38.54 90.86 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.29 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 91.9 mtp -62.23 -43.26 99.22 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.433 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -68.06 -46.63 70.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.839 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.57 -45.15 80.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.302 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.31 -40.96 96.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.605 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -64.61 -46.33 83.09 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.916 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.94 -38.42 82.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.936 0.398 . . . . 0.0 110.438 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.61 -40.44 95.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.947 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 67.0 m -61.63 -43.4 98.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.464 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 9.9 mp -64.38 -38.1 89.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.564 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 81.7 m -58.79 -48.74 80.21 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.226 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.63 -42.79 99.79 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.137 0.494 . . . . 0.0 110.459 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 915' ' ' ALA . . . . . 0.421 ' HB1' ' NZ ' ' B' ' 919' ' ' LYS . . . -64.11 -39.01 93.13 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.593 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.472 ' O ' HD13 ' A' ' 920' ' ' LEU . 71.0 m -59.45 -43.15 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.687 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.77 -41.65 97.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -57.91 -44.98 87.13 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.535 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 919' ' ' LYS . . . . . 0.415 ' NZ ' ' HB1' ' B' ' 915' ' ' ALA . 70.6 mmtt -60.44 -40.35 90.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.346 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 920' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 916' ' ' SER . 7.4 mp -58.23 -38.36 76.69 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.586 -0.445 . . . . 0.0 109.95 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.96 -42.0 98.63 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.048 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.72 -37.55 84.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.889 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.38 -38.26 88.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.082 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.35 -41.38 98.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.013 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.12 -48.93 76.42 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.709 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 88.1 t -65.3 -41.11 90.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.034 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -56.24 -48.67 76.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.886 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.309 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.36 -38.55 91.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.215 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 5.1 tt -61.5 -44.13 97.63 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.216 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 11.6 t -64.27 -43.99 93.09 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.748 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.82 -42.24 97.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.337 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -58.88 -40.68 85.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.059 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -62.15 -46.09 90.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 935' ' ' HIS . . . . . 0.524 ' CE1' ' OE2' ' A' ' 939' ' ' GLU . 10.8 t-160 -65.97 -45.22 82.5 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.905 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.463 ' O ' HG22 ' A' ' 940' ' ' VAL . 9.7 mp -65.73 -39.48 91.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.399 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 28.7 mm-40 -57.85 -44.06 86.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.52 -40.14 92.63 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 939' ' ' GLU . . . . . 0.524 ' OE2' ' CE1' ' A' ' 935' ' ' HIS . 97.8 mt-10 -66.38 -53.08 40.07 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.566 -179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 940' ' ' VAL . . . . . 0.594 HG23 ' N ' ' A' ' 941' ' ' ALA . 15.3 m -67.33 -46.36 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.712 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.594 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -56.4 -40.62 74.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.413 -179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.27 -44.9 95.48 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.422 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 943' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 943' ' ' LEU . 39.5 mt -67.04 -40.53 87.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.301 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.57 -37.91 85.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -53.52 -34.47 58.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.23 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.76 -50.13 74.72 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.242 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 76.6 t -73.82 -42.16 53.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . -172.64 -78.21 0.05 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.871 -1.061 . . . . 0.0 110.539 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . 0.612 ' H ' ' ND2' ' B' ' 885' ' ' ASN . 45.7 t -157.85 153.53 26.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.885 0.374 . . . . 0.0 110.555 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -67.31 -36.7 82.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.56 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -56.41 -19.47 15.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 885' ' ' ASN . . . . . 0.612 ' ND2' ' H ' ' B' ' 882' ' ' SER . 98.2 m-20 -53.38 -29.1 32.87 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.956 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -63.19 -45.6 91.0 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 887' ' ' GLN . . . . . 0.468 ' O ' HD13 ' B' ' 891' ' ' ILE . 88.6 mt-30 -65.38 -48.85 71.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 109.988 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 93.4 t -61.1 -44.77 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 0.0 110.132 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.0 -35.58 80.27 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.719 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.58 -44.91 85.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 891' ' ' ILE . . . . . 0.468 HD13 ' O ' ' B' ' 887' ' ' GLN . 1.5 mp -61.81 -43.47 97.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.234 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.11 -40.96 87.02 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.481 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.41 -38.98 91.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.104 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 894' ' ' LEU . . . . . 0.467 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.3 mt -63.31 -39.05 93.5 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -63.91 -41.26 97.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.042 0.449 . . . . 0.0 110.167 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.64 -45.01 63.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.104 0.478 . . . . 0.0 110.923 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -67.78 -48.46 66.28 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.253 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 898' ' ' ILE . . . . . 0.467 HG22 ' O ' ' B' ' 894' ' ' LEU . 10.3 tp -61.48 -41.45 90.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.039 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 899' ' ' GLU . . . . . 0.442 ' N ' HG23 ' B' ' 898' ' ' ILE . 80.3 tt0 -59.86 -38.6 82.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.892 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 900' ' ' ASP . . . . . 0.416 ' HA ' ' HE ' ' B' ' 903' ' ' ARG . 65.2 t0 -61.11 -44.04 97.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.264 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.89 -39.09 93.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.467 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -59.55 -46.29 89.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.716 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 903' ' ' ARG . . . . . 0.416 ' HE ' ' HA ' ' B' ' 900' ' ' ASP . 87.0 mtm180 -65.63 -38.35 89.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.34 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 92.7 mtp -62.22 -43.05 99.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.922 0.391 . . . . 0.0 110.516 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -68.26 -46.83 69.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.761 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.44 -44.69 82.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.333 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -61.47 -41.57 97.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.711 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -64.47 -46.0 84.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.828 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.76 -39.32 84.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.986 0.422 . . . . 0.0 110.466 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 68.7 mt -64.31 -40.0 95.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.871 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 68.7 m -61.55 -43.38 98.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.626 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.9 -38.02 89.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.622 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 75.1 m -58.78 -48.3 81.72 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.228 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -63.1 -42.0 99.5 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.109 0.48 . . . . 0.0 110.43 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 915' ' ' ALA . . . . . 0.415 ' HB1' ' NZ ' ' A' ' 919' ' ' LYS . . . -64.67 -39.49 93.77 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.626 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 916' ' ' SER . . . . . 0.448 ' O ' HD13 ' B' ' 920' ' ' LEU . 66.8 m -59.19 -43.63 92.21 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.665 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.24 -41.76 97.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.528 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -57.83 -45.12 86.65 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.574 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 919' ' ' LYS . . . . . 0.421 ' NZ ' ' HB1' ' A' ' 915' ' ' ALA . 70.4 mmtt -60.12 -40.57 90.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.358 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 920' ' ' LEU . . . . . 0.448 HD13 ' O ' ' B' ' 916' ' ' SER . 7.4 mp -58.06 -38.58 76.58 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.82 -41.77 98.2 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.016 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.7 mp -62.01 -37.05 83.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.827 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.92 -38.47 91.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.07 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.01 -41.3 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.119 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.18 -48.87 76.53 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.612 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 91.9 t -65.4 -41.24 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.146 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -56.11 -47.96 77.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.4 -46.5 89.89 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.2 -38.56 89.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.972 0.415 . . . . 0.0 109.983 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.49 -44.36 97.23 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.33 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 11.1 t -63.9 -44.07 94.07 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.728 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.88 -42.41 97.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.417 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -58.93 -40.27 84.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.979 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -62.5 -46.12 89.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.837 0.351 . . . . 0.0 110.452 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 935' ' ' HIS . . . . . 0.527 ' CE1' ' OE2' ' B' ' 939' ' ' GLU . 11.0 t-160 -65.93 -45.43 81.91 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.801 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 936' ' ' LEU . . . . . 0.444 ' O ' HG22 ' B' ' 940' ' ' VAL . 9.6 mp -65.35 -40.13 93.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.472 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 937' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 28.4 mm-40 -57.19 -44.18 83.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.361 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.28 -40.58 94.06 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.902 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 939' ' ' GLU . . . . . 0.527 ' OE2' ' CE1' ' B' ' 935' ' ' HIS . 97.9 mt-10 -65.91 -53.13 43.49 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.643 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 940' ' ' VAL . . . . . 0.589 HG23 ' N ' ' B' ' 941' ' ' ALA . 15.5 m -67.34 -46.18 84.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.767 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 941' ' ' ALA . . . . . 0.589 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -56.4 -40.99 75.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.323 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -62.0 -45.3 94.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.007 0.432 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 943' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' B' ' 943' ' ' LEU . 38.7 mt -66.84 -40.7 88.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.252 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -61.33 -37.68 84.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.526 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -53.67 -34.61 59.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.34 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.81 -50.89 71.62 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.198 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 78.5 t -72.75 -42.32 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.007 0.432 . . . . 0.0 110.347 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . -172.14 -77.73 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.47 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . 0.507 ' N ' ' OD1' ' A' ' 885' ' ' ASN . 86.7 p -74.59 159.3 32.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.735 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -66.64 -35.53 80.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.727 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -57.73 -20.95 38.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.896 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 885' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 882' ' ' SER . 9.4 m120 -56.46 -29.54 61.83 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.171 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -62.94 -45.42 92.58 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.842 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -67.04 -43.56 82.45 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.408 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.73 -44.41 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.348 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.69 -41.55 87.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.02 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -63.56 -45.53 90.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.557 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.23 -40.19 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . 0.656 HD11 ' NZ ' ' A' ' 896' ' ' LYS . 50.1 tp -59.17 -42.67 91.34 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.201 -179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.14 -39.33 93.8 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.175 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 894' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.2 mt -63.09 -39.31 94.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.985 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.32 -41.69 89.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.129 0.49 . . . . 0.0 110.225 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 896' ' ' LYS . . . . . 0.656 ' NZ ' HD11 ' A' ' 892' ' ' LEU . 61.6 mttp -69.77 -44.61 69.81 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.749 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -68.51 -49.95 55.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.795 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 898' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 894' ' ' LEU . 9.8 tp -60.65 -41.97 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 899' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 898' ' ' ILE . 90.1 mt-10 -62.22 -38.3 88.63 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.53 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -61.56 -41.23 97.08 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.072 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.4 -41.78 88.8 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 902' ' ' GLN . . . . . 0.424 ' CG ' HD21 ' B' ' 933' ' ' ASN . 88.2 mt-30 -63.69 -39.29 93.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.51 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -63.21 -42.03 99.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.699 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 62.5 mtt -64.52 -41.96 96.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.516 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 905' ' ' LYS . . . . . 0.495 ' NZ ' ' OE2' ' A' ' 909' ' ' GLU . 13.6 tttp -62.36 -46.44 88.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.246 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.62 -44.95 88.9 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.786 -0.365 . . . . 0.0 111.01 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -65.74 -39.94 91.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.219 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -63.18 -45.62 90.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.173 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.495 ' OE2' ' NZ ' ' A' ' 905' ' ' LYS . 98.2 mt-10 -65.52 -41.23 93.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.103 0.477 . . . . 0.0 110.268 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.55 -40.5 95.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.501 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 11.2 t -62.91 -42.32 99.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.059 0.457 . . . . 0.0 110.59 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 11.3 mt -63.36 -39.54 94.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.601 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 71.8 m -61.42 -47.98 83.29 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.102 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.42 -43.87 84.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 915' ' ' ALA . . . . . 0.446 ' HB1' ' NZ ' ' B' ' 919' ' ' LYS . . . -64.7 -40.82 96.03 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.935 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 11.5 t -60.41 -40.68 91.87 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.327 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 917' ' ' LEU . 32.3 mt -60.9 -41.8 96.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.184 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -60.27 -39.04 85.43 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.061 -0.655 . . . . 0.0 110.351 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 919' ' ' LYS . . . . . 0.456 ' NZ ' ' HB1' ' B' ' 915' ' ' ALA . 70.4 mmtt -62.43 -42.05 99.17 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.588 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.76 -39.39 84.67 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.9 -40.63 93.82 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.08 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.79 -39.13 93.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.085 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -59.62 -39.66 84.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.57 -43.86 97.76 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.068 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -64.21 -47.26 80.4 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 82.6 t -65.19 -43.99 95.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.461 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -57.92 -48.86 78.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.756 0.312 . . . . 0.0 110.585 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.11 -39.81 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.565 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.24 -41.75 98.71 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.75 -44.35 97.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.388 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 62.7 m -61.97 -43.54 98.63 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.776 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.97 -39.45 93.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.505 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 933' ' ' ASN . . . . . 0.406 HD21 ' CG ' ' B' ' 902' ' ' GLN . 20.0 t-20 -60.38 -41.62 94.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.189 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -63.52 -44.22 94.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.731 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -61.53 -45.8 92.63 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.431 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.432 ' O ' HG22 ' A' ' 940' ' ' VAL . 90.4 mt -67.89 -36.51 80.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.144 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -56.66 -43.06 79.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -68.38 -40.69 81.31 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.724 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -63.17 -52.1 63.75 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.283 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 940' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 941' ' ' ALA . 16.2 m -67.97 -40.72 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.403 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.491 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -61.28 -40.2 93.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.317 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.63 -46.2 89.34 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.489 -0.485 . . . . 0.0 109.968 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.23 -37.13 83.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.94 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.95 -38.32 64.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.072 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.13 -35.39 73.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.66 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.57 -46.52 89.92 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.037 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 75.3 t -72.0 -42.58 68.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.354 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.31 49.54 0.02 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.636 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . 0.505 ' N ' ' OD1' ' B' ' 885' ' ' ASN . 97.6 p -74.03 158.81 33.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.921 0.391 . . . . 0.0 110.632 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -66.29 -35.45 80.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -57.63 -21.15 37.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.707 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 885' ' ' ASN . . . . . 0.505 ' OD1' ' N ' ' B' ' 882' ' ' SER . 9.2 m120 -56.17 -29.53 60.94 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.051 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -62.5 -45.45 92.94 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.898 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -67.37 -43.38 81.58 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.516 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 89.3 t -65.59 -44.53 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.19 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.69 -41.66 87.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.182 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -63.34 -45.75 89.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.542 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.25 -40.22 88.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.865 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 892' ' ' LEU . . . . . 0.656 HD11 ' NZ ' ' B' ' 896' ' ' LYS . 52.1 tp -59.0 -42.68 90.65 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.913 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -64.07 -39.74 94.72 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.254 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 894' ' ' LEU . . . . . 0.479 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.3 mt -63.07 -39.77 95.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.796 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.68 -41.39 92.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.155 0.502 . . . . 0.0 110.058 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 896' ' ' LYS . . . . . 0.656 ' NZ ' HD11 ' B' ' 892' ' ' LEU . 61.7 mttp -69.86 -44.86 68.98 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.808 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.7 -49.59 57.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.852 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 898' ' ' ILE . . . . . 0.479 HG22 ' O ' ' B' ' 894' ' ' LEU . 9.8 tp -60.79 -42.01 90.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 899' ' ' GLU . . . . . 0.462 ' N ' HG23 ' B' ' 898' ' ' ILE . 89.2 mt-10 -62.21 -38.41 89.05 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.5 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -61.58 -41.23 97.12 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.186 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.4 mp -66.47 -41.66 88.68 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 902' ' ' GLN . . . . . 0.406 ' CG ' HD21 ' A' ' 933' ' ' ASN . 88.6 mt-30 -63.77 -39.4 94.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.422 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 42.8 mmm-85 -63.03 -42.28 99.74 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.91 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 62.7 mtt -64.31 -42.24 96.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.406 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 905' ' ' LYS . . . . . 0.483 ' NZ ' ' OE2' ' B' ' 909' ' ' GLU . 13.7 tttp -61.64 -46.51 89.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.167 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.59 -45.26 87.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.764 0.316 . . . . 0.0 111.11 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -65.73 -40.11 91.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -63.13 -45.54 91.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.142 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 909' ' ' GLU . . . . . 0.483 ' OE2' ' NZ ' ' B' ' 905' ' ' LYS . 97.3 mt-10 -65.79 -40.84 92.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.893 0.377 . . . . 0.0 110.251 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 60.5 mt -64.84 -40.4 95.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.521 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 11.0 t -62.67 -42.21 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 0.0 110.507 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.9 mt -63.58 -39.77 95.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.656 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 73.8 m -61.48 -47.81 83.95 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.053 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.18 -44.01 85.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.64 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 915' ' ' ALA . . . . . 0.456 ' HB1' ' NZ ' ' A' ' 919' ' ' LYS . . . -64.8 -40.72 95.69 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.973 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 11.4 t -60.57 -40.55 92.08 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.053 0.454 . . . . 0.0 110.271 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.0 -41.96 97.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.21 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -60.08 -38.9 84.25 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.302 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 919' ' ' LYS . . . . . 0.446 ' NZ ' ' HB1' ' A' ' 915' ' ' ALA . 70.9 mmtt -62.68 -42.21 99.5 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.664 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.61 -39.39 84.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.8 -41.22 95.2 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.105 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.28 -39.66 93.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.04 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -58.82 -39.74 82.08 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.83 -43.88 97.61 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.167 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -63.98 -47.42 80.45 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.77 -44.17 96.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.434 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -58.08 -48.85 78.9 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.632 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.12 -39.87 86.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.416 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.37 -41.55 98.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 930' ' ' LEU . . . . . 0.409 HD12 ' NZ ' ' A' ' 905' ' ' LYS . 6.4 tt -62.05 -44.13 97.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.303 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 58.8 m -61.91 -43.63 98.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.81 -39.43 93.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.561 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 933' ' ' ASN . . . . . 0.424 HD21 ' CG ' ' A' ' 902' ' ' GLN . 20.5 t-20 -60.39 -41.67 94.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.207 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -63.47 -44.33 94.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.651 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -61.15 -45.71 93.5 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.398 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 936' ' ' LEU . . . . . 0.444 ' O ' HG22 ' B' ' 940' ' ' VAL . 93.7 mt -68.07 -36.58 80.08 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.218 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 937' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -56.75 -42.91 80.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.358 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -68.39 -41.14 80.92 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.602 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -62.74 -52.2 64.17 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.392 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 940' ' ' VAL . . . . . 0.471 HG23 ' N ' ' B' ' 941' ' ' ALA . 16.0 m -67.82 -40.62 83.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.407 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 941' ' ' ALA . . . . . 0.471 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -61.48 -40.3 94.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.19 -46.32 89.43 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.104 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.5 -37.0 82.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.042 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.94 -38.4 64.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.916 0.388 . . . . 0.0 109.972 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -59.11 -35.46 73.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.685 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.24 -46.58 89.28 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.046 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.13 -42.69 67.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.443 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.32 49.22 0.02 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.655 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 78.7 p -62.41 -38.41 89.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.818 0.342 . . . . 0.0 110.477 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -79.96 -18.71 49.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.533 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -66.67 -20.68 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.747 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -53.79 -29.62 41.08 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -62.36 -45.05 94.94 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 119.586 -0.845 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -65.31 -49.41 69.58 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.09 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.72 -44.77 97.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.069 0.462 . . . . 0.0 110.091 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -66.06 -34.59 78.43 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.866 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.52 -46.44 82.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.508 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.44 -44.11 97.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.336 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 80.3 mt -56.95 -40.0 75.61 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.972 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.74 -38.91 92.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.266 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 894' ' ' LEU . . . . . 0.482 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.2 mt -64.37 -39.31 93.61 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.633 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.14 -41.49 94.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 109.947 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -71.51 -43.94 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.015 0.436 . . . . 0.0 110.806 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -68.56 -48.15 64.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.273 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 898' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 894' ' ' LEU . 10.4 tp -62.94 -41.83 94.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.033 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 899' ' ' GLU . . . . . 0.511 ' OE2' ' NH2' ' A' ' 903' ' ' ARG . 81.2 tt0 -60.41 -39.79 88.65 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.047 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.82 -44.32 97.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.565 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.46 -40.94 98.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -59.37 -39.36 83.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.174 0.511 . . . . 0.0 110.366 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 903' ' ' ARG . . . . . 0.511 ' NH2' ' OE2' ' A' ' 899' ' ' GLU . 99.3 mtt180 -73.45 -35.2 65.71 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.62 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 68.6 mmm -61.35 -47.43 85.92 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.1 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 905' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 906' ' ' GLU . 51.1 pttt -69.76 -42.88 73.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.819 0.342 . . . . 0.0 110.673 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 905' ' ' LYS . 94.9 mt-10 -65.41 -40.3 93.22 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.949 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -69.29 -38.2 78.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.634 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.39 -47.26 82.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.432 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.43 -36.83 82.0 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.334 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 28.3 mt -63.14 -43.06 99.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.409 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 35.9 t -64.29 -41.98 96.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.504 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.01 -40.01 96.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.413 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 79.4 m -59.68 -48.02 83.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.73 -38.34 90.75 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.014 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.54 94.38 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 47.8 t -60.12 -43.05 95.91 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.851 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.06 -40.73 96.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.55 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -60.48 -42.44 96.28 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 919' ' ' LYS . . . . . 0.552 ' NZ ' ' NZ ' ' B' ' 919' ' ' LYS . 43.4 mmtm -60.8 -41.93 96.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.608 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.14 -38.78 80.51 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.072 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.84 -41.52 95.99 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.256 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.4 -39.13 92.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.045 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.8 -41.18 86.15 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.054 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.73 -42.61 99.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.087 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.06 -47.04 81.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.546 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.43 -44.1 98.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.25 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -56.31 -48.08 77.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.38 -37.86 88.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.126 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.92 -42.09 99.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.088 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.32 -42.62 99.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.586 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 67.6 m -59.14 -43.31 92.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.446 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -65.13 -41.83 94.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.248 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -60.78 -42.15 96.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.233 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -59.97 -44.73 94.28 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.921 0.391 . . . . 0.0 110.325 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -60.61 -44.63 96.07 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.712 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.516 ' O ' HG22 ' A' ' 940' ' ' VAL . 9.2 mp -64.6 -39.32 93.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.384 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 84.0 mt-10 -55.95 -42.63 76.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.23 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -66.62 -41.55 88.19 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.481 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.58 -52.76 55.87 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.004 -0.678 . . . . 0.0 111.284 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 940' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 936' ' ' LEU . 18.3 m -66.58 -40.76 87.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.293 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.482 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -57.17 -41.11 78.64 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.108 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.15 -45.67 93.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.508 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.5 -42.25 95.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.048 0.452 . . . . 0.0 110.82 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 949' ' ' GLU . 51.7 mtmt -63.93 -39.71 94.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -59.54 -39.12 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.409 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.5 -44.62 95.92 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.606 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.24 -42.38 74.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.534 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.42 43.5 0.03 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 944' ' ' LYS . 97.1 mt-10 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.623 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 78.1 p -64.14 -38.09 89.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.506 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -80.25 -18.5 49.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.366 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -66.81 -20.88 66.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.724 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -54.27 -29.51 47.27 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -61.92 -45.22 94.65 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.376 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -65.48 -48.93 70.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.89 0.376 . . . . 0.0 110.241 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 91.8 t -60.65 -44.84 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.248 0.547 . . . . 0.0 110.004 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.89 -34.92 79.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.775 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.43 -46.14 84.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.626 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.05 -43.71 98.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.221 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 79.9 mt -56.8 -40.22 75.56 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.833 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.81 -38.55 91.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 894' ' ' LEU . . . . . 0.48 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.3 mt -65.05 -38.71 91.7 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.694 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.44 -41.43 93.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.166 0.507 . . . . 0.0 109.807 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -71.2 -44.59 65.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.107 0.479 . . . . 0.0 110.768 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -68.29 -48.01 66.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.414 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 898' ' ' ILE . . . . . 0.48 HG22 ' O ' ' B' ' 894' ' ' LEU . 10.6 tp -63.11 -41.86 94.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.02 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 899' ' ' GLU . . . . . 0.492 ' OE2' ' NH2' ' B' ' 903' ' ' ARG . 79.8 tt0 -60.05 -40.38 89.22 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.156 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.45 -43.95 97.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.456 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.79 -40.97 97.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -59.36 -39.12 82.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.115 0.483 . . . . 0.0 110.364 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 903' ' ' ARG . . . . . 0.492 ' NH2' ' OE2' ' B' ' 899' ' ' GLU . 99.3 mtt180 -73.69 -35.24 65.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.684 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 69.0 mmm -61.31 -47.22 86.93 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.101 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 905' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' B' ' 906' ' ' GLU . 51.5 pttt -69.74 -43.23 72.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.86 0.362 . . . . 0.0 110.643 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 906' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' B' ' 905' ' ' LYS . 95.2 mt-10 -64.84 -40.36 95.05 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.008 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -69.36 -38.11 77.94 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -63.71 -47.11 82.46 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.391 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.35 -36.76 82.07 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 26.4 mt -63.18 -43.2 98.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 38.7 t -64.36 -41.67 96.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.503 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.1 -39.96 96.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 74.7 m -59.88 -47.32 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.757 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.3 -38.07 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.115 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.59 93.39 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 25.4 t -60.1 -43.17 95.76 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.59 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -40.41 95.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -60.82 -43.17 98.56 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.652 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 919' ' ' LYS . . . . . 0.552 ' NZ ' ' NZ ' ' A' ' 919' ' ' LYS . 43.4 mmtm -60.16 -42.29 94.63 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.632 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.71 -38.77 79.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.973 0.416 . . . . 0.0 110.085 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -61.04 -41.19 96.11 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.203 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.2 mp -62.38 -39.22 92.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.023 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.9 -41.49 87.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.184 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.58 -42.51 98.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.135 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.12 -46.38 84.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.591 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.12 -43.95 97.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.187 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -56.31 -47.59 78.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.506 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.97 -38.1 87.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.282 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 49.4 tp -62.64 -42.16 99.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.004 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.37 -42.91 99.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.741 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 71.1 m -58.85 -43.15 90.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.38 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -65.22 -41.8 94.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.349 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -61.07 -41.69 97.1 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.28 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -59.98 -45.24 93.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.833 0.349 . . . . 0.0 110.297 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -60.25 -44.48 95.23 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.724 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 936' ' ' LEU . . . . . 0.523 ' O ' HG22 ' B' ' 940' ' ' VAL . 9.2 mp -64.92 -38.89 92.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.461 179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 937' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 83.0 mt-10 -56.08 -42.78 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.244 0.34 . . . . 0.0 110.244 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -66.57 -41.5 88.51 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.299 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.5 -52.97 55.12 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.285 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 940' ' ' VAL . . . . . 0.523 HG22 ' O ' ' B' ' 936' ' ' LEU . 19.3 m -66.44 -40.86 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.85 0.357 . . . . 0.0 110.407 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 941' ' ' ALA . . . . . 0.488 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -57.16 -41.05 78.49 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.07 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -60.96 -45.87 93.01 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.333 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.66 -42.77 95.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 944' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' B' ' 949' ' ' GLU . 51.3 mtmt -63.42 -39.51 94.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -59.68 -39.48 84.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.45 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.21 -44.36 96.74 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.606 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 77.9 t -71.42 -42.44 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.561 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.53 43.41 0.03 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 944' ' ' LYS . 96.2 mt-10 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.579 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 79.1 p -62.84 -35.18 79.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -67.25 -36.8 82.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.594 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -56.62 -19.99 18.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.777 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -55.8 -30.06 60.74 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.934 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -62.61 -45.45 92.82 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.765 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.9 -47.67 76.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.898 0.38 . . . . 0.0 110.224 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.62 -43.99 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.987 0.423 . . . . 0.0 110.584 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -66.58 -37.19 84.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.177 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -63.79 -48.64 76.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.061 0.458 . . . . 0.0 110.61 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.07 -41.14 90.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.937 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . 0.516 ' O ' HD13 ' A' ' 892' ' ' LEU . 0.2 OUTLIER -56.53 -42.22 78.09 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.76 -177.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 -62.89 -39.54 94.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.774 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 894' ' ' LEU . . . . . 0.461 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.4 mt -63.49 -38.56 91.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.485 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.21 -40.32 93.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.079 0.466 . . . . 0.0 110.069 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.55 -44.78 70.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.293 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.6 -49.46 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.537 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 898' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 894' ' ' LEU . 11.0 tp -62.11 -40.97 89.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.033 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 899' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 898' ' ' ILE . 82.2 tt0 -60.66 -39.9 90.1 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.144 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.77 -42.81 99.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.372 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.79 -40.94 98.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.358 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -59.95 -40.95 90.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.377 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.33 -37.02 86.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.519 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 86.9 mmm -62.02 -43.13 99.48 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.223 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -62.71 -47.54 83.16 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.644 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -66.8 -37.77 85.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -42.4 98.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.535 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -65.55 -43.5 89.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.425 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.98 -39.65 86.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.023 0.439 . . . . 0.0 110.255 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 68.1 mt -63.76 -40.39 96.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.011 179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 41.0 m -62.96 -38.19 90.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.052 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.01 -41.81 99.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.415 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 65.4 m -61.74 -44.55 96.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.09 -38.07 89.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.329 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -60.22 -45.41 93.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.515 ' HA ' ' HZ2' ' B' ' 919' ' ' LYS . 36.7 t -61.71 -42.79 99.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.215 0.531 . . . . 0.0 110.415 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.1 -39.72 91.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.206 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -61.75 -40.31 94.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 919' ' ' LYS . . . . . 0.4 ' HZ2' ' HA ' ' B' ' 916' ' ' SER . 54.0 mtpt -59.69 -44.65 93.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.519 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 10.1 mp -60.3 -38.94 85.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.931 0.396 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -60.09 -40.85 91.0 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.344 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.09 -39.44 94.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.039 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -58.7 -41.82 87.15 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.251 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -62.83 -44.49 96.01 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -67.2 -48.74 66.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.074 0.464 . . . . 0.0 110.992 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.53 -40.98 91.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.15 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.32 -48.56 80.14 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.005 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.44 -47.38 70.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.799 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 933' ' ' ASN . 9.1 mp -62.66 -37.82 87.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.16 179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.95 -43.92 97.83 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.271 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 10.9 t -63.07 -44.62 95.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.708 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.17 -41.21 90.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.493 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 933' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 929' ' ' LEU . 7.9 m-20 -61.94 -41.75 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.024 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -61.39 -44.73 96.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.395 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 935' ' ' HIS . . . . . 0.521 ' CE1' ' OE2' ' A' ' 939' ' ' GLU . 10.4 t-160 -65.75 -44.28 86.37 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.456 -0.497 . . . . 0.0 110.849 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.11 -40.73 94.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.466 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 78.7 mt-10 -58.66 -43.05 89.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.59 -40.87 96.3 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.721 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 939' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 935' ' ' HIS . 98.3 mt-10 -68.83 -50.88 46.36 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.168 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.59 -45.96 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.487 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -57.62 -41.59 81.62 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.097 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -60.99 -43.07 99.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.241 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 48.2 tp -65.51 -43.58 89.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.7 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -64.08 -39.01 93.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.011 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.4 -35.92 68.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.68 -43.63 98.49 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.585 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 68.4 t -70.88 -42.5 77.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.369 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 157.33 21.7 0.03 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.5 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 77.8 p -62.7 -35.8 80.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.673 0.273 . . . . 0.0 110.639 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -66.59 -36.14 81.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.508 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -56.88 -19.82 19.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.757 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -55.83 -30.54 61.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.779 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -62.44 -45.05 94.81 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.858 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -65.17 -47.36 77.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.955 0.407 . . . . 0.0 110.199 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.05 -43.65 97.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.711 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -67.12 -37.87 84.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.2 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.08 -48.82 76.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.089 0.471 . . . . 0.0 110.485 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.92 -41.33 90.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.901 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 892' ' ' LEU . . . . . 0.525 HD13 ' O ' ' B' ' 892' ' ' LEU . 0.2 OUTLIER -56.22 -42.06 76.65 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.767 -177.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -63.05 -40.2 97.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.753 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 894' ' ' LEU . . . . . 0.456 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.6 mt -62.98 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.354 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.59 -40.02 93.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.04 0.448 . . . . 0.0 110.016 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -70.06 -44.12 69.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.962 0.411 . . . . 0.0 111.292 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -69.42 -49.58 53.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.432 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 898' ' ' ILE . . . . . 0.46 HG23 ' N ' ' B' ' 899' ' ' GLU . 11.0 tp -61.39 -41.36 89.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.998 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 899' ' ' GLU . . . . . 0.46 ' N ' HG23 ' B' ' 898' ' ' ILE . 82.4 tt0 -60.39 -40.07 89.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.266 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.89 -42.46 99.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.379 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.74 -40.85 98.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.221 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.1 -41.26 92.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.537 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 903' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' B' ' 907' ' ' ARG . 98.0 mtt180 -63.97 -36.72 84.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.551 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 86.8 mmm -62.29 -43.07 99.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.412 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -62.92 -47.13 84.57 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.597 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -66.95 -37.82 84.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.654 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 907' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 1.0 OUTLIER -61.08 -42.94 99.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.534 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -65.37 -42.87 92.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.411 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.2 -39.8 87.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.173 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 63.5 mt -63.7 -40.42 96.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.057 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 37.8 m -63.07 -37.93 89.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.44 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 12.2 tp -63.19 -41.4 99.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.338 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 72.4 m -62.02 -44.86 95.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.61 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.91 -38.78 92.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.381 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.19 93.46 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.58 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 916' ' ' SER . . . . . 0.4 ' HA ' ' HZ2' ' A' ' 919' ' ' LYS . 39.9 t -61.44 -43.09 99.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.215 0.531 . . . . 0.0 110.453 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 27.7 mt -61.23 -39.51 90.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.282 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -61.89 -39.53 92.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 919' ' ' LYS . . . . . 0.515 ' HZ2' ' HA ' ' A' ' 916' ' ' SER . 54.7 mtpt -60.19 -44.76 94.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.401 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.25 -38.4 83.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.921 0.391 . . . . 0.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.38 -40.67 91.69 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.449 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.45 -38.49 91.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.904 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -59.35 -42.43 91.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.171 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -62.58 -44.63 95.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -66.85 -49.1 66.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.048 0.452 . . . . 0.0 111.075 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.35 -41.1 91.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.192 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.97 -48.58 79.56 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.969 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.47 -47.54 69.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.86 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 929' ' ' LEU . . . . . 0.43 ' O ' ' OD1' ' B' ' 933' ' ' ASN . 9.2 mp -62.44 -37.9 87.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.142 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.02 -43.77 98.13 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.193 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 11.2 t -63.44 -44.57 94.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.09 -40.96 91.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.412 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 933' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' B' ' 929' ' ' LEU . 8.1 m-20 -62.22 -42.01 98.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.048 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.29 -44.43 97.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 935' ' ' HIS . . . . . 0.531 ' CE1' ' OE2' ' B' ' 939' ' ' GLU . 10.7 t-160 -65.92 -44.3 85.54 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.944 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 69.8 mt -65.21 -40.49 94.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.404 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 937' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 81.7 mt-10 -58.71 -43.29 90.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.36 -41.01 96.94 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.588 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 939' ' ' GLU . . . . . 0.531 ' OE2' ' CE1' ' B' ' 935' ' ' HIS . 98.8 mt-10 -68.17 -51.04 50.26 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.261 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.58 -46.47 86.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 941' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -57.29 -41.48 79.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.055 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -61.06 -42.6 98.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.04 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 47.3 tp -66.07 -43.55 87.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.627 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -64.04 -38.51 91.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.011 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -57.07 -35.67 69.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.469 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.04 -43.8 98.06 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.469 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.81 -42.55 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.533 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 157.5 22.07 0.03 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.568 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 883' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 2.6 p 66.01 -1.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.628 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 883' ' ' HIS . . . . . 0.416 ' H ' ' C ' ' A' ' 881' ' ' GLY . 96.3 m-70 -78.3 -13.32 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.505 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -66.61 -21.18 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.803 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -55.36 -29.28 58.1 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.734 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -62.27 -45.43 93.33 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.453 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.485 ' O ' HD13 ' A' ' 891' ' ' ILE . 49.2 mt-30 -66.13 -46.74 76.44 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.505 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 83.8 t -62.9 -46.41 96.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.24 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.74 -40.25 88.26 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.069 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.15 -42.18 89.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.795 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 891' ' ' ILE . . . . . 0.485 HD13 ' O ' ' A' ' 887' ' ' GLN . 1.3 mp -62.43 -42.16 94.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.4 -41.48 93.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.13 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.25 -38.56 91.63 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.091 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.07 -40.33 96.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.9 -41.14 95.48 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.79 -42.91 97.65 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.559 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.2 -47.97 63.36 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 29.7 mm -63.95 -43.78 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.77 -39.17 87.81 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.122 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.64 -43.63 98.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.468 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.34 -40.36 97.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.396 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -57.89 -46.44 84.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.85 0.357 . . . . 0.0 110.555 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.19 -37.69 84.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.99 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 84.2 mmm -61.77 -44.87 96.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.967 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 905' ' ' LYS . . . . . 0.408 ' HZ3' ' HB3' ' B' ' 933' ' ' ASN . 52.4 mtmt -65.41 -45.25 84.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.796 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . 0.538 ' O ' HD13 ' A' ' 910' ' ' LEU . 80.8 mm-40 -66.7 -45.82 77.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.023 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.04 -38.21 85.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -63.89 -43.83 94.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.874 0.369 . . . . 0.0 110.496 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.471 ' OE2' HG11 ' B' ' 926' ' ' VAL . 77.8 mm-40 -62.91 -38.41 90.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.275 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 910' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 906' ' ' GLU . 8.4 mp -63.8 -41.24 97.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.268 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 10.3 t -62.39 -40.43 96.46 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.635 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.1 mt -62.86 -40.66 98.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.019 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -61.71 -45.78 92.48 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.025 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . 0.487 ' OE2' ' O ' ' A' ' 910' ' ' LEU . 1.1 mp0 -65.94 -45.01 83.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.563 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.55 -41.21 96.48 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.704 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.415 ' O ' HD13 ' A' ' 920' ' ' LEU . 50.3 m -60.58 -39.23 87.28 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.203 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.78 -42.31 98.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.072 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -58.66 -42.72 89.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.622 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -61.07 -41.88 97.47 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.585 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 920' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 916' ' ' SER . 7.9 mp -60.11 -38.63 83.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -60.77 -40.95 94.45 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.102 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.05 -38.32 90.7 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.51 -41.74 90.63 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.251 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.69 -41.8 99.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.217 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -62.39 -47.24 85.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.466 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 926' ' ' VAL . . . . . 0.465 HG11 ' OE2' ' B' ' 909' ' ' GLU . 97.7 t -65.44 -44.54 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.096 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.73 -48.61 81.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.232 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.89 -42.72 94.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.975 0.417 . . . . 0.0 110.636 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.463 ' O ' ' ND2' ' A' ' 933' ' ' ASN . 38.5 mt -63.54 -39.23 93.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.575 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.63 -42.15 98.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.215 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 14.9 p -61.55 -44.59 96.76 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.058 0.456 . . . . 0.0 110.968 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.35 -42.95 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.496 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 933' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 929' ' ' LEU . 62.8 m-80 -60.7 -39.96 90.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.838 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.91 -40.92 90.47 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.08 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 935' ' ' HIS . . . . . 0.521 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 80.1 t60 -59.94 -46.01 90.78 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.483 -0.887 . . . . 0.0 110.164 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 936' ' ' LEU . 4.1 mm? -69.3 -34.36 74.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.244 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 80.2 tt0 -61.1 -45.0 96.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.582 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -66.26 -42.09 88.99 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.272 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 939' ' ' GLU . . . . . 0.521 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 99.0 mt-10 -66.82 -51.11 59.46 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.239 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 940' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 936' ' ' LEU . 68.0 t -66.51 -45.53 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.617 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -58.22 -37.25 74.47 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.38 -44.72 96.68 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.499 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 943' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 943' ' ' LEU . 30.9 mt -66.15 -40.44 90.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.069 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -60.45 -37.94 82.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.724 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -53.29 -32.92 51.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.388 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 54.4 mt -60.78 -49.1 78.84 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.179 -0.609 . . . . 0.0 110.162 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 75.6 t -74.26 -42.38 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.035 0.445 . . . . 0.0 110.435 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . -176.67 -71.04 0.06 OUTLIER Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.601 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 881' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' B' ' 883' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 1.8 p 65.75 -0.76 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.661 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 883' ' ' HIS . . . . . 0.42 ' H ' ' C ' ' B' ' 881' ' ' GLY . 95.6 m-70 -78.89 -12.59 60.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.608 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -67.36 -21.13 65.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -55.37 -29.19 57.95 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.671 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -62.39 -45.23 94.06 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.621 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 887' ' ' GLN . . . . . 0.51 ' O ' HD13 ' B' ' 891' ' ' ILE . 49.9 mt-30 -66.5 -46.14 77.25 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.482 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.19 -46.37 96.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.215 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.95 -40.47 87.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.05 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.19 -41.97 89.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.853 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 891' ' ' ILE . . . . . 0.51 HD13 ' O ' ' B' ' 887' ' ' GLN . 1.3 mp -62.45 -42.25 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 66.7 mt -60.48 -41.6 94.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.229 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.23 -38.22 90.31 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.103 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.31 -39.98 95.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.17 -41.33 96.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.853 0.358 . . . . 0.0 110.064 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.7 -42.93 97.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.619 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.24 -47.81 63.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.179 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 29.7 mm -64.01 -43.71 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.9 -39.26 88.66 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.12 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -61.67 -43.57 98.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.4 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.26 -40.41 97.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.416 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -57.87 -46.44 84.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.944 0.402 . . . . 0.0 110.546 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.7 -38.18 86.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.069 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.59 -44.82 96.3 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.929 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -65.47 -45.28 84.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 906' ' ' GLU . . . . . 0.544 ' O ' HD13 ' B' ' 910' ' ' LEU . 80.7 mm-40 -66.72 -45.75 77.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.066 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -60.91 -38.21 84.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.511 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -64.22 -43.32 95.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.344 . . . . 0.0 110.535 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 909' ' ' GLU . . . . . 0.465 ' OE2' HG11 ' A' ' 926' ' ' VAL . 78.0 mm-40 -63.02 -38.53 91.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.281 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 910' ' ' LEU . . . . . 0.544 HD13 ' O ' ' B' ' 906' ' ' GLU . 8.5 mp -63.9 -41.17 97.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.229 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 9.3 t -62.24 -40.54 96.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.636 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.8 -40.84 98.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.104 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 77.4 m -61.68 -45.83 92.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.029 0.442 . . . . 0.0 110.172 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 914' ' ' GLU . . . . . 0.486 ' OE2' ' O ' ' B' ' 910' ' ' LEU . 1.1 mp0 -65.84 -45.08 83.56 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.27 96.73 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.683 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 916' ' ' SER . . . . . 0.409 ' O ' HD13 ' B' ' 920' ' ' LEU . 49.1 m -60.63 -39.39 88.09 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.288 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.61 -42.22 98.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.103 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -58.87 -42.33 89.17 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.575 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -61.35 -42.08 98.11 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.5 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 920' ' ' LEU . . . . . 0.409 HD13 ' O ' ' B' ' 916' ' ' SER . 8.0 mp -60.05 -38.71 83.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.77 -41.01 94.67 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.094 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.11 -38.41 91.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.805 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -59.14 -41.74 89.03 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.269 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -62.65 -41.69 99.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.186 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -62.58 -47.21 84.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.476 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 926' ' ' VAL . . . . . 0.471 HG11 ' OE2' ' A' ' 909' ' ' GLU . 96.3 t -65.53 -44.59 93.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.079 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -60.68 -48.71 80.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.9 -42.8 94.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.974 0.416 . . . . 0.0 110.704 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 929' ' ' LEU . . . . . 0.49 ' O ' ' ND2' ' B' ' 933' ' ' ASN . 38.7 mt -63.45 -39.27 94.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.6 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.61 -42.11 98.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.197 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 13.8 p -61.56 -44.52 96.88 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.053 0.454 . . . . 0.0 111.005 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.42 -42.99 91.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.527 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 933' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 929' ' ' LEU . 63.1 m-80 -60.62 -39.78 89.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.814 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.91 -41.0 90.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.127 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 935' ' ' HIS . . . . . 0.515 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 82.0 t60 -60.04 -45.82 91.57 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 119.492 -0.883 . . . . 0.0 110.149 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 936' ' ' LEU . . . . . 0.433 ' N ' HD22 ' B' ' 936' ' ' LEU . 4.2 mm? -69.18 -34.33 74.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.235 178.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 937' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 80.5 tt0 -61.22 -45.11 95.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -66.15 -42.13 89.48 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.201 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 939' ' ' GLU . . . . . 0.515 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.9 mt-10 -66.91 -51.25 57.63 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.379 -0.529 . . . . 0.0 111.177 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 940' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 936' ' ' LEU . 76.5 t -66.31 -45.35 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.659 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 941' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -58.48 -37.05 74.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -61.32 -44.76 96.67 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 33.4 mt -66.42 -40.24 89.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.064 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 944' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -60.31 -38.03 82.42 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.657 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -53.46 -33.1 52.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 57.1 mt -60.68 -49.2 78.45 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.265 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 75.1 t -74.12 -42.38 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.105 0.479 . . . . 0.0 110.493 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . -176.68 -71.06 0.06 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.572 -179.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . 0.449 ' O ' ' ND2' ' A' ' 885' ' ' ASN . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 46.7 t -60.82 -43.32 98.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.739 0.304 . . . . 0.0 110.64 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 883' ' ' HIS . . . . . 0.499 ' CE1' ' NZ ' ' A' ' 886' ' ' LYS . 78.0 t60 -64.61 -39.31 93.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.571 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -59.36 -20.19 52.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 885' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 881' ' ' GLY . 3.7 m120 -55.17 -29.47 57.88 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.865 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 886' ' ' LYS . . . . . 0.499 ' NZ ' ' CE1' ' A' ' 883' ' ' HIS . 88.3 mttt -63.04 -45.48 92.09 Favored 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.674 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.49 -45.94 81.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.397 . . . . 0.0 110.233 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.91 -43.83 96.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -66.41 -38.28 87.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.087 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -63.19 -47.22 83.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.968 0.413 . . . . 0.0 110.586 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.18 -41.89 93.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.266 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 40.4 mt -57.96 -41.4 82.79 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.151 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -63.26 -38.35 90.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.944 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.64 -37.93 89.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.56 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . 0.571 ' HA ' ' HZ1' ' B' ' 944' ' ' LYS . 97.5 mt-10 -61.93 -40.14 94.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -63.46 -43.98 95.81 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.311 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -68.12 -42.18 80.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 5.0 mm -64.24 -44.0 97.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.745 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -60.07 -39.6 86.61 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.274 -0.57 . . . . 0.0 109.991 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 900' ' ' ASP . . . . . 0.406 ' HA ' ' HE ' ' A' ' 903' ' ' ARG . 68.3 t0 -62.14 -43.52 98.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.84 -41.48 99.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.539 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 902' ' ' GLN . . . . . 0.546 ' NE2' ' OE2' ' B' ' 937' ' ' GLU . 95.2 mm-40 -60.23 -47.21 86.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.532 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 903' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 907' ' ' ARG . 90.9 mtm180 -66.62 -39.39 88.29 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.508 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 84.7 mmm -63.83 -44.24 93.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.67 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 905' ' ' LYS . . . . . 0.466 ' NZ ' ' CD1' ' B' ' 930' ' ' LEU . 28.0 tttt -65.0 -47.71 76.54 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.795 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -67.27 -38.94 85.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.056 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 907' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 903' ' ' ARG . 13.6 mmm180 -60.71 -43.52 97.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.86 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . 0.458 ' OE1' HD12 ' B' ' 922' ' ' LEU . 97.6 mm-40 -64.96 -43.89 91.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.898 0.38 . . . . 0.0 110.604 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.39 -39.35 86.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.234 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.52 -38.71 92.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.316 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 67.6 m -61.54 -41.34 97.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.506 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.96 -41.63 99.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.667 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 70.6 m -60.32 -46.4 90.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.0 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.85 -38.01 89.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.303 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.21 94.81 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . 0.534 ' CA ' ' HZ2' ' B' ' 919' ' ' LYS . 42.1 t -63.1 -45.44 92.06 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.687 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -41.94 98.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.724 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -59.35 -41.69 89.78 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.173 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 919' ' ' LYS . . . . . 0.539 ' HZ2' ' CA ' ' B' ' 916' ' ' SER . 55.1 mtpt -60.1 -41.28 92.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.526 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.29 -38.56 83.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.29 -41.77 94.07 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.107 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 922' ' ' LEU . . . . . 0.494 HD12 ' OE1' ' B' ' 908' ' ' GLN . 4.1 mm? -62.27 -38.91 91.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.147 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.07 -39.52 82.35 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.514 -0.475 . . . . 0.0 110.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.09 -44.54 95.43 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.243 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.85 -46.4 78.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.903 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.11 -41.87 92.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.355 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -57.8 -48.95 78.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.969 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -68.58 -44.53 74.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.76 -40.48 97.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 930' ' ' LEU . . . . . 0.451 ' CD1' ' NZ ' ' B' ' 905' ' ' LYS . 5.8 tt -62.43 -43.9 97.71 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.165 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 67.3 m -63.62 -44.38 94.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.963 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.71 -43.72 88.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.394 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -59.91 -41.15 91.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.905 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 934' ' ' TYR . . . . . 0.484 ' CE2' ' ND2' ' A' ' 938' ' ' ASN . 90.7 t80 -60.36 -42.24 95.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.274 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 935' ' ' HIS . . . . . 0.513 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 86.8 t60 -65.47 -45.54 83.31 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.162 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 940' ' ' VAL . 10.4 mp -65.22 -37.77 88.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.282 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . 0.541 ' OE2' ' NE2' ' B' ' 902' ' ' GLN . 75.3 mt-10 -63.06 -44.49 95.67 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.769 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 938' ' ' ASN . . . . . 0.484 ' ND2' ' CE2' ' A' ' 934' ' ' TYR . 92.7 m-20 -62.91 -43.39 98.92 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.222 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 939' ' ' GLU . . . . . 0.513 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 98.8 mt-10 -72.01 -50.9 24.78 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.271 -0.572 . . . . 0.0 111.572 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 940' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 936' ' ' LEU . 95.8 t -64.57 -46.3 93.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.89 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.33 -36.42 75.63 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.22 -46.64 89.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 119.934 -0.706 . . . . 0.0 109.49 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.05 -34.28 73.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.823 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . 0.569 ' HZ1' ' HA ' ' B' ' 895' ' ' GLU . 3.4 tppt? -57.47 -36.84 71.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.244 -178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.9 -35.73 75.48 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.904 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 62.2 mt -58.12 -50.78 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.466 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 86.4 t -80.32 -42.78 21.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.03 0.443 . . . . 0.0 110.8 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 165.54 106.97 0.2 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.612 -179.9 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 881' ' ' GLY . . . . . 0.482 ' O ' ' ND2' ' B' ' 885' ' ' ASN . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 47.2 t -60.52 -43.55 96.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 110.533 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 883' ' ' HIS . . . . . 0.5 ' CE1' ' NZ ' ' B' ' 886' ' ' LYS . 75.2 t60 -64.69 -39.39 93.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.486 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -59.33 -20.24 52.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 885' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' B' ' 881' ' ' GLY . 3.4 m120 -55.06 -29.5 57.62 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.976 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 886' ' ' LYS . . . . . 0.5 ' NZ ' ' CE1' ' B' ' 883' ' ' HIS . 87.3 mttt -62.77 -45.32 93.23 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.625 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -65.53 -46.0 81.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 110.352 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 97.5 t -64.94 -43.69 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -66.33 -38.61 88.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -63.05 -47.36 83.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.957 0.408 . . . . 0.0 110.545 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.13 -41.98 93.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.227 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 39.6 mt -58.01 -41.44 83.12 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.012 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -63.27 -38.26 90.46 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.977 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 894' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 894' ' ' LEU . 95.1 mt -63.51 -38.26 90.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.532 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . 0.569 ' HA ' ' HZ1' ' A' ' 944' ' ' LYS . 96.3 mt-10 -61.8 -40.24 94.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -63.32 -43.84 96.64 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.231 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.28 -42.11 80.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.491 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.25 -44.03 97.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.03 -39.93 87.59 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.274 -0.571 . . . . 0.0 110.009 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 900' ' ' ASP . . . . . 0.412 ' HA ' ' HE ' ' B' ' 903' ' ' ARG . 65.1 t0 -61.83 -43.45 98.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.594 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.04 -41.47 99.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.627 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 902' ' ' GLN . . . . . 0.541 ' NE2' ' OE2' ' A' ' 937' ' ' GLU . 94.8 mm-40 -60.16 -46.74 88.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 903' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' B' ' 907' ' ' ARG . 90.7 mtm180 -66.9 -39.55 87.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.49 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 84.0 mmm -63.62 -44.41 94.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.708 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 905' ' ' LYS . . . . . 0.451 ' NZ ' ' CD1' ' A' ' 930' ' ' LEU . 28.5 tttt -65.04 -47.81 76.07 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.883 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -67.15 -38.81 86.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 907' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 13.5 mmm180 -60.7 -43.88 97.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.874 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 908' ' ' GLN . . . . . 0.494 ' OE1' HD12 ' A' ' 922' ' ' LEU . 98.2 mm-40 -64.67 -43.57 93.15 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.606 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.56 -39.18 87.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.192 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.67 -38.77 92.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.151 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 73.6 m -61.47 -41.45 97.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.425 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.91 -41.62 99.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.555 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 74.2 m -60.43 -46.46 89.96 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.97 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.72 -37.89 89.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.249 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.12 95.09 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 916' ' ' SER . . . . . 0.539 ' CA ' ' HZ2' ' A' ' 919' ' ' LYS . 38.5 t -63.35 -45.16 92.47 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.66 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 917' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.97 -42.07 98.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.707 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -59.39 -41.48 89.48 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.128 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 919' ' ' LYS . . . . . 0.534 ' HZ2' ' CA ' ' A' ' 916' ' ' SER . 55.4 mtpt -60.15 -41.57 93.04 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.634 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.08 -38.5 83.09 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.32 -41.81 94.29 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.161 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 922' ' ' LEU . . . . . 0.458 HD12 ' OE1' ' A' ' 908' ' ' GLN . 4.1 mm? -62.22 -38.89 90.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.183 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.02 -39.66 82.59 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.041 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.97 -44.4 96.15 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.288 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.86 -46.31 78.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.32 -42.01 92.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.372 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -57.67 -48.87 78.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.988 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -68.73 -44.35 74.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.96 -40.4 97.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.354 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 930' ' ' LEU . . . . . 0.466 ' CD1' ' NZ ' ' A' ' 905' ' ' LYS . 5.9 tt -62.49 -43.76 98.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.192 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 68.1 m -63.64 -44.45 93.83 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.868 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.02 -43.71 86.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.421 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -60.08 -40.82 90.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 934' ' ' TYR . . . . . 0.496 ' CE2' ' ND2' ' B' ' 938' ' ' ASN . 90.8 t80 -60.67 -42.59 97.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.319 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 935' ' ' HIS . . . . . 0.522 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 86.6 t60 -65.34 -45.46 84.12 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.037 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 936' ' ' LEU . . . . . 0.461 ' O ' HG23 ' B' ' 940' ' ' VAL . 10.5 mp -65.16 -37.44 87.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.291 179.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 937' ' ' GLU . . . . . 0.546 ' OE2' ' NE2' ' A' ' 902' ' ' GLN . 73.7 mt-10 -63.29 -44.46 94.97 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 938' ' ' ASN . . . . . 0.496 ' ND2' ' CE2' ' B' ' 934' ' ' TYR . 93.3 m-20 -63.01 -43.45 98.74 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.336 -0.546 . . . . 0.0 111.174 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 939' ' ' GLU . . . . . 0.522 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.9 mt-10 -71.85 -50.8 26.3 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.534 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 940' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 936' ' ' LEU . 91.7 t -64.64 -46.22 93.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.858 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 941' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.57 -36.04 75.43 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -60.19 -46.75 88.66 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.528 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.98 -35.05 74.14 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.845 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 944' ' ' LYS . . . . . 0.571 ' HZ1' ' HA ' ' A' ' 895' ' ' GLU . 3.4 tppt? -56.53 -36.77 69.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.239 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.1 -36.06 76.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.923 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 62.3 mt -58.14 -50.52 73.22 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.334 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 95.8 t -80.31 -42.82 21.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.055 0.455 . . . . 0.0 110.827 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 165.17 107.13 0.2 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.656 -179.916 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 56.1 m -60.37 -43.27 96.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 110.598 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -67.73 -37.84 82.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.641 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -55.8 -20.17 14.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.824 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -53.86 -29.89 43.26 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -63.2 -45.26 92.58 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 119.684 -0.807 . . . . 0.0 110.778 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -64.3 -49.54 71.39 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.02 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 86.3 t -61.29 -47.36 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.241 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.92 -31.86 73.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.939 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -64.12 -45.3 89.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.33 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.73 -42.75 95.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.939 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.37 -39.6 80.04 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.272 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.75 -39.06 92.96 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.461 -0.495 . . . . 0.0 109.919 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 894' ' ' LEU . . . . . 0.498 ' O ' HG22 ' A' ' 898' ' ' ILE . 96.2 mt -62.95 -37.8 88.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.482 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . 0.472 ' HA ' ' HZ1' ' B' ' 944' ' ' LYS . 97.5 mt-10 -63.16 -44.96 94.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.915 0.388 . . . . 0.0 110.366 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -68.16 -43.92 77.14 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -70.22 -51.04 33.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.382 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 898' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 894' ' ' LEU . 9.6 tp -59.9 -40.69 83.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.974 0.416 . . . . 0.0 110.044 -179.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 899' ' ' GLU . . . . . 0.524 ' CG ' ' NH1' ' A' ' 903' ' ' ARG . 81.0 tt0 -62.99 -38.76 92.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.252 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -61.56 -44.07 97.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.87 -40.48 96.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.608 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -58.49 -48.09 81.94 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.647 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 903' ' ' ARG . . . . . 0.524 ' NH1' ' CG ' ' A' ' 899' ' ' GLU . 59.3 mtt85 -64.99 -41.04 95.76 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.08 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 92.0 mtp -64.74 -46.63 81.39 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.19 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 905' ' ' LYS . . . . . 0.437 ' HZ3' ' HB2' ' B' ' 933' ' ' ASN . 99.5 mttt -67.13 -44.55 79.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.051 0.453 . . . . 0.0 110.575 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.49 -43.23 85.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 907' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 903' ' ' ARG . 20.5 mmt85 -63.07 -40.59 98.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -61.39 -45.96 92.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.334 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . 0.528 ' OE2' HD22 ' B' ' 930' ' ' LEU . 98.3 mt-10 -60.15 -39.15 85.34 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.571 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.67 -40.02 95.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.514 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 71.0 m -61.76 -41.58 97.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.68 -38.84 92.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.379 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 74.2 m -59.93 -45.11 93.67 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.076 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.72 -44.25 86.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.698 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.74 96.6 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 63.6 m -60.34 -40.34 90.33 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.373 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 917' ' ' LEU . 34.6 mt -61.6 -42.35 98.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.37 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -58.8 -42.29 88.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.195 0.521 . . . . 0.0 110.582 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -60.99 -42.66 98.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.621 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 7.7 mp -59.81 -38.02 80.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.976 0.417 . . . . 0.0 110.16 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.92 -42.87 98.97 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.493 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.28 -37.27 86.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.975 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.6 -38.63 85.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.093 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -66.35 -40.3 89.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.327 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . 0.497 ' O ' HD13 ' A' ' 929' ' ' LEU . 88.8 tttt -65.14 -52.07 57.41 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.482 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.6 -38.09 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.08 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -56.76 -44.76 82.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.249 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -63.72 -38.47 91.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.97 0.415 . . . . 0.0 110.297 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 925' ' ' LYS . 7.0 mp -63.01 -41.15 99.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.097 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 930' ' ' LEU . . . . . 0.544 HD22 ' OE2' ' B' ' 909' ' ' GLU . 41.7 tp -61.99 -42.51 99.23 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.135 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 72.6 p -58.8 -42.8 89.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.48 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.51 -38.72 91.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.984 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 933' ' ' ASN . . . . . 0.462 HD22 ' HZ2' ' B' ' 905' ' ' LYS . 7.3 t-20 -59.57 -41.32 89.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.974 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.05 -46.13 91.96 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.181 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 935' ' ' HIS . . . . . 0.523 ' NE2' ' OE2' ' A' ' 939' ' ' GLU . 86.3 t60 -65.58 -43.91 88.28 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.66 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.19 -39.37 93.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.374 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 941' ' ' ALA . 41.3 mm-40 -59.82 -41.5 91.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.169 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.19 -41.79 96.95 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.672 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 939' ' ' GLU . . . . . 0.523 ' OE2' ' NE2' ' A' ' 935' ' ' HIS . 98.4 mt-10 -68.63 -50.54 50.53 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.72 -44.54 93.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.443 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.55 -37.95 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.885 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.26 -46.48 90.19 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.264 -0.575 . . . . 0.0 109.648 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 89.2 mt -70.0 -33.59 72.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.715 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . 0.483 ' HZ1' ' HA ' ' B' ' 895' ' ' GLU . 2.8 tppt? -58.19 -37.25 74.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.41 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -60.88 -34.62 74.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.76 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.65 -45.39 92.15 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.468 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 98.4 t -88.64 -42.04 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.961 0.41 . . . . 0.0 110.62 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 167.97 107.14 0.2 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.577 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 56.4 m -60.07 -43.19 95.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.487 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -67.76 -37.77 82.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -55.92 -19.91 13.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -54.23 -29.93 48.28 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.77 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -63.08 -45.25 93.01 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.689 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -64.44 -49.46 71.37 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.037 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 85.5 t -61.29 -47.23 94.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.121 0.486 . . . . 0.0 110.187 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -62.96 -31.6 72.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.93 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -64.32 -45.65 86.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.341 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.46 -42.74 95.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.855 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.36 -39.65 80.13 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.284 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.58 -38.73 91.27 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.101 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 894' ' ' LEU . . . . . 0.492 ' O ' HG22 ' B' ' 898' ' ' ILE . 96.2 mt -63.51 -38.18 90.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.52 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . 0.483 ' HA ' ' HZ1' ' A' ' 944' ' ' LYS . 96.3 mt-10 -62.71 -45.02 94.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.903 0.383 . . . . 0.0 110.336 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -67.95 -44.02 77.71 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -70.35 -51.24 31.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.37 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 898' ' ' ILE . . . . . 0.492 HG22 ' O ' ' B' ' 894' ' ' LEU . 9.6 tp -59.55 -40.54 82.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.046 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 899' ' ' GLU . . . . . 0.523 ' CG ' ' NH1' ' B' ' 903' ' ' ARG . 81.4 tt0 -63.3 -38.33 90.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.191 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -61.87 -43.98 97.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.87 -40.71 97.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.616 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -58.42 -48.11 81.74 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.684 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 903' ' ' ARG . . . . . 0.523 ' NH1' ' CG ' ' B' ' 899' ' ' GLU . 58.3 mtt85 -64.97 -40.9 95.68 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.119 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 91.4 mtp -64.82 -46.6 81.29 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.167 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 905' ' ' LYS . . . . . 0.462 ' HZ2' HD22 ' A' ' 933' ' ' ASN . 99.5 mttt -67.08 -44.55 79.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.1 0.476 . . . . 0.0 110.725 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.39 -43.18 86.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 907' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' B' ' 903' ' ' ARG . 21.0 mmt85 -62.97 -40.48 97.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.929 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -61.62 -46.09 91.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.428 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 909' ' ' GLU . . . . . 0.544 ' OE2' HD22 ' A' ' 930' ' ' LEU . 99.3 mt-10 -59.95 -38.79 83.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.988 0.423 . . . . 0.0 110.559 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.8 -40.3 96.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.556 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 74.1 m -61.72 -41.54 97.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.337 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.92 -39.03 93.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.295 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 71.8 m -59.7 -45.01 93.42 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.994 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.82 -44.63 85.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.55 97.45 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.932 0.396 . . . . 0.0 110.694 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 70.3 m -60.56 -40.63 92.33 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.458 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 917' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 917' ' ' LEU . 34.1 mt -61.5 -42.15 98.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -59.03 -42.37 90.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.138 0.494 . . . . 0.0 110.489 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -60.71 -42.83 98.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.638 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 7.8 mp -59.81 -37.95 80.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.141 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.85 -43.08 98.81 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.493 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.03 -36.77 84.66 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.101 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.08 -38.9 87.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.216 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -66.23 -39.82 89.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.399 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 925' ' ' LYS . . . . . 0.484 ' O ' HD13 ' B' ' 929' ' ' LEU . 88.9 tttt -65.45 -51.98 56.37 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.502 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 926' ' ' VAL . . . . . 0.402 HG13 ' N ' ' B' ' 927' ' ' GLU . 8.3 p -66.95 -37.81 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.089 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 927' ' ' GLU . . . . . 0.402 ' N ' HG13 ' B' ' 926' ' ' VAL . 33.9 tp10 -56.99 -44.32 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -64.05 -38.68 91.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.338 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 929' ' ' LEU . . . . . 0.484 HD13 ' O ' ' B' ' 925' ' ' LYS . 7.0 mp -62.93 -41.18 99.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.198 179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 930' ' ' LEU . . . . . 0.528 HD22 ' OE2' ' A' ' 909' ' ' GLU . 42.8 tp -61.9 -42.56 99.22 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.043 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 63.1 p -58.88 -42.61 89.93 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.13 0.491 . . . . 0.0 110.385 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.66 -38.82 91.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.046 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 933' ' ' ASN . . . . . 0.437 ' HB2' ' HZ3' ' A' ' 905' ' ' LYS . 7.6 t-20 -59.57 -41.15 89.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.011 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.05 -46.12 91.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.105 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 935' ' ' HIS . . . . . 0.513 ' NE2' ' OE2' ' B' ' 939' ' ' GLU . 86.3 t60 -65.47 -44.04 88.4 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.78 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 80.8 mt -64.21 -39.5 94.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.281 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 937' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' B' ' 941' ' ' ALA . 41.1 mm-40 -59.43 -41.68 90.16 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.284 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -63.92 -41.93 97.53 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.723 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 939' ' ' GLU . . . . . 0.513 ' OE2' ' NE2' ' B' ' 935' ' ' HIS . 98.5 mt-10 -68.48 -50.44 52.34 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.984 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.07 -44.6 91.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.445 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 941' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.13 -38.3 79.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.774 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.25 -46.42 90.46 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.733 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.01 -33.22 71.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.821 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 944' ' ' LYS . . . . . 0.472 ' HZ1' ' HA ' ' A' ' 895' ' ' GLU . 2.7 tppt? -58.56 -37.29 75.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.297 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -60.93 -34.1 74.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.776 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.22 -44.08 95.46 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.392 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 98.3 t -90.22 -41.85 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.543 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 168.06 107.12 0.2 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.523 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 23.2 m -72.05 146.68 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.716 0.293 . . . . 0.0 110.377 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -79.6 -18.68 51.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.65 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -69.64 -20.89 63.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.983 0.421 . . . . 0.0 110.715 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -54.49 -28.8 47.49 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.717 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 886' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -62.03 -45.25 94.4 Favored 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.565 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.47 -46.17 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.05 0.452 . . . . 0.0 110.321 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.99 -44.42 99.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.277 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -67.23 -41.62 85.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.595 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -65.07 -49.61 69.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.033 0.444 . . . . 0.0 110.819 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.44 -41.76 93.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.053 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 57.4 tp -55.81 -42.76 76.12 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.13 -39.86 94.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.5 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 894' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 898' ' ' ILE . 95.8 mt -63.0 -39.79 95.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.938 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.99 -41.54 90.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.175 0.512 . . . . 0.0 110.223 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.22 -45.1 67.25 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.829 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.59 -48.86 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.713 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 898' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 894' ' ' LEU . 10.2 tp -61.49 -42.18 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.118 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 899' ' ' GLU . . . . . 0.471 ' N ' HG23 ' A' ' 898' ' ' ILE . 87.4 mt-10 -61.87 -38.6 88.88 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.846 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.37 -43.89 98.09 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.374 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.02 -41.33 86.82 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.902 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 902' ' ' GLN . . . . . 0.432 HE21 ' HG2' ' B' ' 937' ' ' GLU . 85.8 mt-30 -62.45 -39.39 93.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 903' ' ' ARG . . . . . 0.686 ' NH2' HH21 ' A' ' 907' ' ' ARG . 16.8 mmm180 -62.95 -45.48 92.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.501 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 91.3 mtp -65.68 -41.82 92.0 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.681 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 905' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -61.15 -45.96 92.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.508 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.45 -40.09 92.8 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.897 0.379 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 907' ' ' ARG . . . . . 0.686 HH21 ' NH2' ' A' ' 903' ' ' ARG . 95.1 mtt-85 -69.34 -39.28 78.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.335 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . 0.485 ' O ' HD13 ' A' ' 912' ' ' LEU . 74.5 mm-40 -63.23 -48.61 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.089 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -68.39 -36.51 79.26 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.098 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.79 -43.02 99.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.334 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 70.3 m -62.33 -42.59 99.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.274 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 912' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 908' ' ' GLN . 7.3 mp -63.62 -37.67 88.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.354 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -60.52 -47.18 87.27 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.074 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.19 -45.65 80.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 915' ' ' ALA . . . . . 0.477 ' HB1' ' NZ ' ' B' ' 919' ' ' LYS . . . -64.95 -39.09 92.97 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.813 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 40.9 t -60.78 -41.41 95.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.297 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 917' ' ' LEU . 33.9 mt -61.06 -41.27 96.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.106 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -60.16 -39.42 86.35 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.433 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 919' ' ' LYS . . . . . 0.467 ' NZ ' ' HB1' ' B' ' 915' ' ' ALA . 69.1 mmtt -62.37 -42.45 99.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.727 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.62 -39.51 84.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.72 -41.37 95.13 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.078 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.31 -39.54 93.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.999 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -58.69 -39.52 80.94 Favored 'General case' 0 CA--C 1.515 -0.404 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.126 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.33 -43.02 99.79 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.043 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.85 -48.62 76.02 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.752 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.35 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -57.44 -48.93 77.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.061 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.55 -46.86 77.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.305 . . . . 0.0 111.32 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.78 -39.35 94.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.03 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 930' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.53 -43.39 98.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.736 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 8.4 p -62.16 -43.98 97.62 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.659 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 932' ' ' LYS . . . . . 0.423 ' O ' HD13 ' A' ' 936' ' ' LEU . 63.4 mttm -65.85 -41.32 91.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.533 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 933' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -60.78 -41.77 96.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.055 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 934' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -62.24 -45.55 92.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.837 0.351 . . . . 0.0 110.259 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -65.13 -44.79 87.53 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.868 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 940' ' ' VAL . 9.6 mp -64.68 -39.81 94.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.167 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . 0.442 ' HG2' HE21 ' B' ' 902' ' ' GLN . 70.6 mt-10 -56.83 -42.48 79.73 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 938' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -65.96 -40.51 91.34 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.01 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.35 -52.52 53.23 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.297 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 940' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 941' ' ' ALA . 22.0 m -67.53 -41.17 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.113 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.49 ' N ' HG23 ' A' ' 940' ' ' VAL . . . -60.17 -42.06 94.19 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.145 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.78 -47.97 82.77 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.877 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 99.5 mt -69.48 -39.27 77.78 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.063 0.458 . . . . 0.0 111.734 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 949' ' ' GLU . 45.5 mtpt -60.71 -38.91 86.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.435 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -60.38 -38.04 82.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.16 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.21 -44.43 96.6 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.43 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 61.2 t -71.11 -42.42 76.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.584 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 148.64 45.55 0.03 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 944' ' ' LYS . 97.5 mt-10 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 21.5 m -70.89 146.58 49.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.311 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -79.76 -18.46 51.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -69.51 -20.45 63.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.788 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -54.87 -28.93 53.88 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.659 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 886' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -61.9 -45.38 94.0 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.515 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 887' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -67.19 -46.75 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.14 0.495 . . . . 0.0 110.411 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.43 -44.71 99.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.287 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.1 -41.45 86.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.669 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.12 -49.49 69.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.043 0.449 . . . . 0.0 110.799 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.41 -41.77 93.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.004 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 57.7 tp -55.97 -42.82 76.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -64.35 -39.64 94.29 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.407 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 894' ' ' LEU . . . . . 0.482 ' O ' HG22 ' B' ' 898' ' ' ILE . 95.8 mt -62.88 -39.86 95.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.86 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.12 -41.74 90.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.127 0.489 . . . . 0.0 110.169 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -69.83 -44.84 69.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.022 0.439 . . . . 0.0 110.893 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -69.1 -49.0 61.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.627 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 898' ' ' ILE . . . . . 0.482 HG22 ' O ' ' B' ' 894' ' ' LEU . 10.0 tp -61.35 -41.99 91.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.107 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 899' ' ' GLU . . . . . 0.464 ' N ' HG23 ' B' ' 898' ' ' ILE . 88.7 mt-10 -61.92 -38.85 89.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.46 -43.71 98.39 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.331 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.84 -41.41 87.44 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.937 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 902' ' ' GLN . . . . . 0.442 HE21 ' HG2' ' A' ' 937' ' ' GLU . 86.1 mt-30 -62.4 -39.53 93.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.345 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 903' ' ' ARG . . . . . 0.677 ' NH2' HH21 ' B' ' 907' ' ' ARG . 17.1 mmm180 -62.74 -45.44 92.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.488 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 92.1 mtp -65.75 -41.82 91.67 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.694 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 905' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -61.09 -45.87 92.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.549 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.56 -40.07 92.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.959 0.409 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 907' ' ' ARG . . . . . 0.677 HH21 ' NH2' ' B' ' 903' ' ' ARG . 95.2 mtt-85 -69.28 -39.22 78.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.286 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 908' ' ' GLN . . . . . 0.491 ' O ' HD13 ' B' ' 912' ' ' LEU . 75.3 mm-40 -63.39 -48.55 77.42 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.153 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -68.36 -36.52 79.33 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.119 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.0 -42.86 99.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.233 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 69.1 m -62.39 -42.6 99.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.226 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 912' ' ' LEU . . . . . 0.491 HD13 ' O ' ' B' ' 908' ' ' GLN . 7.3 mp -63.69 -37.69 88.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.366 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 73.0 m -60.39 -47.22 87.01 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.062 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.2 -45.73 79.76 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.08 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 915' ' ' ALA . . . . . 0.467 ' HB1' ' NZ ' ' A' ' 919' ' ' LYS . . . -64.9 -39.12 93.03 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.778 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 44.5 t -60.65 -41.35 94.79 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.287 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 917' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' B' ' 917' ' ' LEU . 33.2 mt -61.05 -41.29 96.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.107 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -60.24 -39.33 86.32 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.458 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 919' ' ' LYS . . . . . 0.477 ' NZ ' ' HB1' ' A' ' 915' ' ' ALA . 69.2 mmtt -62.47 -42.42 99.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.697 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.54 -39.69 84.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.67 -41.32 94.82 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.155 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.31 -39.61 93.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.081 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -58.47 -39.48 80.07 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.125 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.39 -43.43 98.84 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.985 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.52 -48.36 77.87 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.737 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 88.5 t -64.47 -40.83 90.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.076 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -57.15 -49.0 77.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.044 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.48 -46.99 77.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.759 0.314 . . . . 0.0 111.344 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.76 -39.21 93.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.926 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 930' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.6 -43.43 98.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.779 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 6.5 p -62.33 -43.74 98.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.612 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 932' ' ' LYS . . . . . 0.43 ' O ' HD13 ' B' ' 936' ' ' LEU . 63.4 mttm -65.98 -41.54 91.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.657 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 933' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -60.73 -41.8 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.086 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 934' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -62.13 -45.75 92.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.904 0.383 . . . . 0.0 110.443 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -64.98 -44.69 88.5 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.892 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 936' ' ' LEU . . . . . 0.47 ' O ' HG22 ' B' ' 940' ' ' VAL . 9.6 mp -64.81 -39.75 94.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.137 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 937' ' ' GLU . . . . . 0.432 ' HG2' HE21 ' A' ' 902' ' ' GLN . 70.1 mt-10 -56.62 -42.53 78.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.184 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 938' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -66.09 -40.6 90.91 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.024 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.12 -52.3 56.13 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.298 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 940' ' ' VAL . . . . . 0.486 HG23 ' N ' ' B' ' 941' ' ' ALA . 21.2 m -67.63 -41.16 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.11 179.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 941' ' ' ALA . . . . . 0.486 ' N ' HG23 ' B' ' 940' ' ' VAL . . . -60.2 -42.18 94.56 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.271 -0.571 . . . . 0.0 110.165 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -61.77 -47.91 83.05 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.809 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 98.4 mt -69.54 -39.18 77.62 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 111.694 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 944' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' B' ' 949' ' ' GLU . 45.5 mtpt -60.75 -38.88 86.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.45 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -60.32 -37.94 82.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.224 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.39 -44.3 96.78 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.457 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 71.0 t -71.15 -42.56 75.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.575 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 149.02 45.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 944' ' ' LYS . 97.0 mt-10 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.615 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 2.5 t 48.26 91.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.877 0.37 . . . . 0.0 110.682 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 883' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -83.58 -16.49 45.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.766 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -64.53 -19.2 65.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.521 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 885' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -53.18 -28.37 26.12 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 886' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 887' ' ' GLN . 24.1 pttm -61.49 -45.28 94.92 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.016 -0.674 . . . . 0.0 110.675 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 886' ' ' LYS . 54.4 tt0 -68.01 -39.48 83.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.455 0.645 . . . . 0.0 110.391 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 888' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.82 -40.37 76.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.678 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 889' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -66.69 -45.54 78.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.763 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -67.15 -40.33 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.275 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 891' ' ' ILE . . . . . . . . . . . . . 2.1 tp -65.04 -38.21 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.589 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 892' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.67 -41.02 96.98 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.159 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 893' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -62.45 -37.88 87.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.503 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 894' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.49 -38.66 92.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.196 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . 0.673 ' HA ' ' HZ1' ' B' ' 944' ' ' LYS . 98.2 mt-10 -60.92 -41.22 95.75 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 896' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.34 -44.07 95.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.581 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -69.9 -45.69 67.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 898' ' ' ILE . . . . . . . . . . . . . 5.2 mm -63.39 -44.39 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 899' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.4 -40.84 92.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.211 -0.595 . . . . 0.0 110.146 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.46 -42.48 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.6 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 901' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.22 -39.63 95.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.379 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 902' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -59.0 -42.37 89.93 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.633 -0.427 . . . . 0.0 109.927 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 903' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -64.58 -41.82 96.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.094 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 904' ' ' MET . . . . . . . . . . . . . 97.1 mmm -63.3 -47.05 83.92 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.033 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 905' ' ' LYS . . . . . 0.427 ' HZ2' ' HG ' ' B' ' 930' ' ' LEU . 23.5 tttt -66.75 -46.54 75.06 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.675 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 906' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -64.69 -43.67 92.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.705 0.288 . . . . 0.0 111.076 -178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 907' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -64.24 -40.67 96.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.878 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 908' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.31 -43.48 94.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.851 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 909' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.78 -39.38 93.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.02 0.438 . . . . 0.0 110.081 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 910' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.16 -40.47 96.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.474 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 911' ' ' SER . . . . . . . . . . . . . 39.1 t -63.06 -42.47 99.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.664 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 912' ' ' LEU . . . . . . . . . . . . . 10.4 mt -63.31 -39.54 94.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 913' ' ' THR . . . . . . . . . . . . . 73.1 m -61.69 -46.42 89.77 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.79 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 914' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.29 -44.29 83.93 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.66 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.29 93.79 Favored 'General case' 0 CA--C 1.513 -0.481 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.749 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 916' ' ' SER . . . . . . . . . . . . . 73.0 m -60.69 -39.54 88.86 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 29.3 mt -61.88 -42.44 99.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.46 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 918' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -61.82 -45.15 95.06 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.964 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 919' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -61.21 -40.36 93.69 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.075 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 920' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.35 -39.2 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 921' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -60.8 -41.55 95.86 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.228 -0.589 . . . . 0.0 109.874 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 922' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.1 -38.89 90.58 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.309 -0.557 . . . . 0.0 109.749 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 923' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -59.97 -39.12 84.57 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.264 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.53 -43.74 98.07 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.092 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 925' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.94 -46.03 86.54 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.072 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 926' ' ' VAL . . . . . . . . . . . . . 83.8 t -66.65 -43.42 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.331 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 927' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -57.63 -48.18 80.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 928' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.02 -41.05 87.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.516 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 929' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.98 -41.53 99.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.763 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 930' ' ' LEU . . . . . 0.426 ' HG ' ' HZ2' ' B' ' 905' ' ' LYS . 5.1 tt -61.9 -43.83 98.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 931' ' ' SER . . . . . . . . . . . . . 42.4 t -63.38 -44.58 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.788 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 932' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.88 -43.4 83.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.255 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 933' ' ' ASN . . . . . 0.524 ' ND2' ' OE2' ' A' ' 937' ' ' GLU . 47.4 t30 -63.19 -41.15 99.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.654 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 934' ' ' TYR . . . . . 0.497 ' CZ ' ' OD1' ' A' ' 938' ' ' ASN . 67.9 t80 -60.68 -43.43 97.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.441 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 935' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -65.6 -44.35 86.83 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.915 -0.714 . . . . 0.0 110.587 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.13 -40.59 94.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.525 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 937' ' ' GLU . . . . . 0.524 ' OE2' ' ND2' ' A' ' 933' ' ' ASN . 92.0 mt-10 -63.04 -43.27 99.14 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 938' ' ' ASN . . . . . 0.497 ' OD1' ' CZ ' ' A' ' 934' ' ' TYR . 11.7 m120 -63.72 -42.13 97.96 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.367 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 939' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.49 -51.23 37.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.319 0.58 . . . . 0.0 111.21 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 940' ' ' VAL . . . . . . . . . . . . . 64.7 t -66.86 -43.66 89.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.697 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 937' ' ' GLU . . . -59.37 -36.84 76.52 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 942' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.79 -46.39 90.66 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 943' ' ' LEU . . . . . . . . . . . . . 99.1 mt -69.26 -34.32 74.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.086 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . 0.651 ' HZ1' ' HA ' ' B' ' 895' ' ' GLU . 3.9 tppt? -57.15 -38.37 73.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.118 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 945' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.79 -33.3 71.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.098 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 946' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.57 -49.12 78.81 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.474 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 947' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.29 -42.74 18.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 948' ' ' GLY . . . . . . . . . . . . . . . 166.36 108.3 0.21 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 949' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.764 -179.767 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 2.3 t 48.29 91.83 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.839 0.352 . . . . 0.0 110.516 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 883' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -83.56 -16.67 44.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.806 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 884' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -64.37 -19.09 65.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 885' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -53.12 -28.54 26.24 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 886' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' B' ' 887' ' ' GLN . 24.1 pttm -61.5 -45.14 95.48 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.716 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 887' ' ' GLN . . . . . 0.446 ' N ' ' CG ' ' B' ' 886' ' ' LYS . 54.8 tt0 -68.16 -39.59 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.425 0.631 . . . . 0.0 110.4 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 56.2 t -70.74 -40.4 76.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.732 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 889' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -66.51 -45.53 79.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.727 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 890' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.22 -40.31 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.277 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 891' ' ' ILE . . . . . . . . . . . . . 2.1 tp -64.95 -38.32 82.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 892' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.62 -41.09 96.98 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.197 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -62.53 -37.68 87.04 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.282 -0.567 . . . . 0.0 109.538 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 894' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.56 -38.61 91.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.294 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . 0.651 ' HA ' ' HZ1' ' A' ' 944' ' ' LYS . 98.1 mt-10 -60.91 -41.22 95.71 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.861 0.362 . . . . 0.0 110.147 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 896' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.39 -43.97 96.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.598 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 897' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -69.95 -45.73 66.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 898' ' ' ILE . . . . . . . . . . . . . 5.3 mm -63.43 -44.3 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -60.47 -40.78 92.49 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.129 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 900' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.49 -42.48 98.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.519 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 901' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.23 -39.58 95.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.393 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 902' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -59.03 -42.58 90.53 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.703 -0.399 . . . . 0.0 109.941 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 903' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -64.61 -41.52 96.15 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.201 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 904' ' ' MET . . . . . . . . . . . . . 97.2 mmm -63.45 -46.99 83.71 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.003 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 905' ' ' LYS . . . . . 0.426 ' HZ2' ' HG ' ' A' ' 930' ' ' LEU . 23.2 tttt -66.76 -46.53 75.08 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.645 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -64.62 -43.81 92.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.734 0.302 . . . . 0.0 111.073 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 907' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -64.17 -40.71 96.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 908' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -64.36 -43.45 94.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 909' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.76 -39.6 93.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.436 . . . . 0.0 110.036 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 63.5 mt -63.97 -40.57 96.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.466 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 911' ' ' SER . . . . . . . . . . . . . 38.4 t -62.87 -42.6 99.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 0.0 110.755 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 912' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.27 -39.64 95.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.597 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 913' ' ' THR . . . . . . . . . . . . . 72.2 m -61.54 -46.41 90.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.28 -44.39 83.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.594 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 915' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.3 94.07 Favored 'General case' 0 CA--C 1.512 -0.502 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.767 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 916' ' ' SER . . . . . . . . . . . . . 74.1 m -60.63 -39.71 89.29 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.055 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 917' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 917' ' ' LEU . 29.4 mt -61.94 -42.25 98.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.515 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 918' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -61.96 -45.07 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.006 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 919' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -61.16 -40.47 93.97 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.994 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.36 -39.19 78.88 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 921' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -60.75 -41.61 95.78 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.986 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 922' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.92 -39.05 90.69 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.313 -0.555 . . . . 0.0 109.783 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 923' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -59.88 -39.05 83.99 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.216 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 924' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.57 -43.82 97.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.041 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 925' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.9 -46.1 86.35 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.065 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 926' ' ' VAL . . . . . . . . . . . . . 83.6 t -66.64 -43.46 90.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.38 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 927' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -57.56 -48.23 79.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.981 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 928' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -67.04 -41.03 87.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.749 0.309 . . . . 0.0 110.472 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 929' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.0 -41.38 99.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.796 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 930' ' ' LEU . . . . . 0.427 ' HG ' ' HZ2' ' A' ' 905' ' ' LYS . 5.0 tt -62.06 -43.81 98.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 931' ' ' SER . . . . . . . . . . . . . 42.2 t -63.24 -44.64 94.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 932' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.82 -43.38 83.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 933' ' ' ASN . . . . . 0.512 ' ND2' ' OE2' ' B' ' 937' ' ' GLU . 47.6 t30 -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.683 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 934' ' ' TYR . . . . . 0.51 ' CZ ' ' OD1' ' B' ' 938' ' ' ASN . 68.5 t80 -60.5 -43.56 96.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 935' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -65.6 -44.29 87.05 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.602 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.16 -40.49 94.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.52 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 937' ' ' GLU . . . . . 0.512 ' OE2' ' ND2' ' B' ' 933' ' ' ASN . 92.4 mt-10 -63.1 -43.33 98.78 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 938' ' ' ASN . . . . . 0.51 ' OD1' ' CZ ' ' B' ' 934' ' ' TYR . 11.6 m120 -63.7 -42.04 98.03 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.315 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 939' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.38 -51.34 37.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.523 0.678 . . . . 0.0 111.35 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 940' ' ' VAL . . . . . . . . . . . . . 64.3 t -66.91 -43.59 89.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.68 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 941' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' B' ' 937' ' ' GLU . . . -59.44 -36.91 76.81 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 942' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.72 -46.4 90.55 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 943' ' ' LEU . . . . . . . . . . . . . 99.1 mt -69.31 -34.43 74.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.017 178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 944' ' ' LYS . . . . . 0.673 ' HZ1' ' HA ' ' A' ' 895' ' ' GLU . 3.8 tppt? -57.07 -38.27 73.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.19 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 945' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.8 -33.26 71.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 946' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.65 -49.05 79.1 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.434 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 947' ' ' VAL . . . . . . . . . . . . . 4.4 t -82.25 -42.9 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.147 0.498 . . . . 0.0 110.462 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 948' ' ' GLY . . . . . . . . . . . . . . . 166.49 108.23 0.21 Allowed Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.818 -179.87 . . . . . . . . 0 0 . 1 stop_ save_