data_1nh4_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 1nh4 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.886 0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.72 73.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.512 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.57 -44.81 62.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.469 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.791 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.5 -33.97 67.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.524 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.84 69.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.512 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.75 60.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.55 -38.39 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.478 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.791 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.87 -45.08 87.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.03 -47.79 76.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.495 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.983 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.16 69.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.514 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.6 38.85 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.53 -54.23 48.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.48 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.95 -30.16 67.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.295 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.36 -52.19 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.427 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.34 -42.24 99.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.508 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.758 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.66 -37.89 89.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.544 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.295 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.57 -32.5 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.431 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.78 64.1 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.758 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.4 -46.32 80.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.489 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.93 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.506 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.903 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.45 -42.96 99.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.504 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.87 -46.35 75.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.433 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.751 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.01 -49.76 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.525 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.5 t -63.58 -48.98 84.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.492 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -56.96 -42.2 78.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.498 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.203 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.63 -47.5 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.261 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.85 -51.48 72.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.315 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.73 -48.12 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.487 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.858 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.65 -52.67 7.07 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.203 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.97 9.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 110.519 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.261 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.63 -54.99 27.13 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.472 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.315 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.17 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.444 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.858 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.27 62.28 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 110.509 -1.037 . . . . 0.0 110.509 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.978 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.75 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.596 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.37 80.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.484 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.584 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.2 mt -54.82 -33.78 62.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.978 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.7 -44.47 96.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.475 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 1.004 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.71 -43.44 68.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.571 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.895 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.22 -45.41 48.28 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.498 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.584 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.88 -42.65 57.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.524 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.978 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -43.98 51.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.504 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 1.004 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.91 -42.66 57.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.413 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.895 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.84 -40.65 60.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.467 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.634 -0.712 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 120.91 0.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.79 73.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.48 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.45 -44.79 62.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.782 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.6 -33.94 67.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.473 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.87 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.525 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.68 -42.77 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.454 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.52 -38.34 68.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.782 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.97 -45.03 87.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.461 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.04 -47.75 76.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.572 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.986 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.73 -41.16 70.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.462 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.53 -48.63 38.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.56 -54.22 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.458 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.91 -30.2 67.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.324 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.33 -52.18 12.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.765 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.65 -37.88 89.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.574 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.324 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.48 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.497 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.14 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.765 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.33 -46.41 80.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.517 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.74 -48.91 79.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.509 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.887 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.44 -43.03 99.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.513 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.652 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.8 -46.35 75.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.451 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.746 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.03 -49.77 54.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.544 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.54 -48.96 84.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.522 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -57.03 -42.12 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.516 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.165 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.67 -47.54 43.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.531 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.241 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.82 -51.49 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.494 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.26 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.8 -47.99 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.488 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.849 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.7 -52.7 6.98 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.165 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.99 -54.95 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 110.522 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.241 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.68 -54.99 26.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.43 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.26 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.75 -37.22 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.469 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.849 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.23 62.67 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.984 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.1 -42.74 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.899 0.381 . . . . 0.0 110.589 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.34 80.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.537 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.2 mt -54.87 -33.75 62.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.454 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.953 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.74 -44.48 96.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.47 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.988 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.44 69.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.592 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.892 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.29 -45.35 48.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.513 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.63 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.539 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.953 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.98 -43.91 51.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.482 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.988 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.95 -42.63 57.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.438 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.892 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.8 -40.67 60.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.51 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.617 -0.719 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.875 0.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.77 73.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.497 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.49 -44.79 62.61 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.78 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.53 -34.03 67.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.479 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.94 -46.86 70.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.572 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.67 -42.77 60.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.47 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.34 67.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.463 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.78 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.9 -45.09 87.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.462 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.98 -47.8 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.528 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.993 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.71 -41.16 69.98 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.523 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.57 39.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.684 ' O ' ' HG2' ' A' ' 21' ' ' MET . 74.8 m -56.51 -54.25 48.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.491 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.88 -30.25 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.483 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.287 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.33 -52.15 13.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.491 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -42.3 99.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.501 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.772 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 98.2 mmm -64.59 -37.91 89.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.576 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.287 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.46 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.15 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.772 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.32 -46.4 80.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.509 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.74 -48.97 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.531 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.883 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -42.99 99.85 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.34 75.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.449 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.756 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.03 -49.77 54.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.521 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.55 -49.01 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.501 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.91 -42.2 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.549 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.205 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.63 -47.57 44.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.504 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.225 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.79 -51.56 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.506 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.343 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.71 -48.02 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.504 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.837 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.69 -52.73 6.98 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.205 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.97 -54.96 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.503 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.225 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.63 -54.99 27.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.474 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.343 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.82 -37.18 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.46 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.837 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.68 -47.27 62.57 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.974 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.3 mm -59.11 -42.77 87.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.915 0.388 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.34 80.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.497 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 86.4 mt -54.87 -33.76 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.969 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.7 -44.49 96.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.473 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.998 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.7 -43.4 69.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.612 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.883 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.25 -45.38 48.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.553 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.91 -42.65 57.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.503 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.969 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 100.0 m -74.93 -43.96 51.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.474 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.998 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.93 -42.65 57.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.402 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.883 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.81 -40.64 60.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.504 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 120.915 0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.69 -37.74 73.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.55 -44.78 62.81 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.497 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.786 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.52 -34.01 67.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.511 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -46.86 70.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.554 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.69 -42.78 60.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.56 -38.3 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.477 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.786 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.97 -45.04 87.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.477 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.03 -47.82 76.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.978 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.63 -41.17 69.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.521 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.61 38.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.438 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.682 ' O ' ' HG2' ' A' ' 21' ' ' MET . 74.7 m -56.53 -54.21 48.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.472 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.91 -30.28 67.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.489 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.239 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.23 -52.2 13.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.527 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.33 -42.26 99.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.497 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.767 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 98.2 mmm -64.71 -37.81 88.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.566 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.239 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.65 -32.45 42.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.65 -32.74 64.05 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.767 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.3 -46.45 80.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.491 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.93 79.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.508 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.904 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.34 -43.03 99.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.535 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.88 -46.29 75.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.467 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.757 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.06 -49.78 54.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.5 -49.02 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.517 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.94 -42.19 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.516 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.229 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.52 44.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.537 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.271 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.88 -51.5 71.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.495 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.313 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.7 -48.07 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.512 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.848 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.7 6.97 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.229 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.9 -55.01 9.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.528 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.271 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.64 -55.01 26.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.388 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.313 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.83 -37.11 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.502 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.848 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.7 -47.32 62.19 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.987 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.6 mm -59.03 -42.76 87.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 110.603 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.44 -45.41 80.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.499 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.1 mt -54.82 -33.75 61.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.973 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.73 -44.46 96.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.448 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.991 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.41 69.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.577 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.91 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.29 -45.34 48.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.524 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.93 -42.65 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.483 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.973 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.95 -43.93 51.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.482 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.991 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.92 -42.64 57.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.467 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.91 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.79 -40.69 61.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.464 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 . -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.195 0 CA-C-O 120.888 0.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.72 -37.71 73.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.501 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.54 -44.79 62.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.78 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.54 -33.97 67.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.01 -46.87 70.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.68 -42.76 60.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.427 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.28 67.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.78 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.95 -45.08 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.98 -47.8 76.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.534 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.984 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.21 69.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.472 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.51 -48.63 38.98 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.517 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.54 -54.19 48.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.468 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.23 67.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.518 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.264 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.2 m -74.25 -52.19 13.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.49 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.34 -42.26 99.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.758 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.71 -37.83 88.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.537 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.264 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.55 -32.56 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.484 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -32.77 64.24 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.758 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.36 -46.4 80.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.5 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.92 79.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.497 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.906 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -43.05 99.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.51 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.651 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.78 -46.38 75.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.441 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.749 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.01 -49.8 54.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.544 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.53 -48.97 84.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.54 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.97 -42.15 78.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.533 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.226 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.69 -47.49 44.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.526 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.25 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.81 -51.5 71.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.347 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.8 -48.01 35.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.513 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.858 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.64 7.02 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.226 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.98 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 0.0 110.484 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.25 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.58 -55.02 27.03 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.456 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.347 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.84 -37.13 47.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.458 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.858 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.3 62.28 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.976 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.07 -42.78 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.577 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.45 -45.33 80.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.539 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.0 mt -54.85 -33.75 62.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.486 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.92 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.78 -44.43 96.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.467 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.979 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.75 -43.4 68.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.542 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.904 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.31 -45.37 47.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.485 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.571 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.83 -42.69 57.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.554 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.92 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.01 -43.89 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.465 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.979 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.95 -42.68 57.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.436 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.904 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.78 -40.63 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.593 -0.73 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.57 -44.78 62.86 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.48 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.789 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.91 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.505 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.08 -46.83 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.5 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.65 -42.79 60.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.463 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.52 -38.37 68.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.789 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.88 -45.07 87.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.483 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.99 -47.84 76.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.982 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.65 -41.17 69.77 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.58 38.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.481 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.54 -54.24 48.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.95 -30.18 67.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.483 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.22 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.33 -52.19 12.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.432 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.35 -42.22 99.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.511 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.762 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.68 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.503 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.22 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.47 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.469 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.64 -32.76 64.05 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.762 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.44 -46.29 80.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.473 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.96 79.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.498 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.903 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.02 99.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.5 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.86 -46.38 75.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.438 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.754 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.98 -49.77 54.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.532 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.7 t -63.57 -48.97 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.484 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.4 t -56.97 -42.22 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.468 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.225 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.65 -47.49 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.562 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.233 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.82 -51.5 71.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.557 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.328 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.72 -48.14 35.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.489 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.848 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.62 -52.68 7.08 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.225 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.01 -54.94 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.52 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.233 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.59 -55.05 26.79 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.476 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.328 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.81 -37.09 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.453 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.848 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.8 -47.27 61.94 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.965 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.71 87.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.36 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.498 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.1 tp -54.87 -33.77 62.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.955 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.989 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.42 69.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.618 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 1.057 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.23 -45.43 48.14 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.523 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.88 -42.63 57.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.555 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.955 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.88 -44.03 51.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.989 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.91 -42.65 57.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.401 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 1.057 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.84 -40.69 60.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.458 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.648 -0.705 . . . . 0.0 . 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.217 0 CA-C-O 120.927 0.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.89 73.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.465 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.38 -44.84 62.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.527 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.787 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.56 -33.97 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.463 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.87 69.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.507 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -73.68 -42.75 60.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.35 68.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.787 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.92 -45.06 87.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.0 -47.76 76.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.591 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.976 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.79 -41.1 70.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.429 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.62 38.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.502 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.55 -54.22 48.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.483 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.17 67.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.535 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.279 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.38 -52.16 12.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.488 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.29 -42.26 99.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.586 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.748 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.62 -37.89 89.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.579 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.279 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.49 42.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.476 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.15 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.748 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.33 -46.44 80.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.494 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.71 -48.88 79.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.563 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.902 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.49 -43.01 99.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.487 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.8 -46.39 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.456 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.752 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.78 54.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.576 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.51 -48.97 84.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.551 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -57.06 -42.09 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.2 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.66 -47.51 44.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.534 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.232 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.89 -51.47 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.472 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.247 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.8 -47.99 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.478 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.848 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.73 -52.71 6.95 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.2 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.99 -54.95 9.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.939 0.399 . . . . 0.0 110.532 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.232 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.8 m -63.65 -55.02 26.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.462 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.247 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.16 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.46 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.848 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.73 -47.23 62.53 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.983 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.03 -42.77 87.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 110.616 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.51 -45.32 81.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.519 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.583 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.1 tp -54.88 -33.79 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.396 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.968 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.72 -44.44 96.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.491 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 1.002 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.47 68.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.582 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 1.071 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.29 -45.35 48.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.496 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.583 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.64 57.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.968 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.96 -43.89 51.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.527 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 1.002 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.97 -42.61 57.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.472 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 1.071 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.78 -40.65 61.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.526 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.604 -0.725 . . . . 0.0 . 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.848 0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.69 73.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.49 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.53 -44.84 62.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.49 -34.04 67.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.85 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.75 60.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.518 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.37 67.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.438 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.87 -45.09 87.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.485 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.0 -47.8 76.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.992 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.71 -41.14 69.93 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.558 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.59 39.01 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.54 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.5 -54.25 48.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.518 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.26 67.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.479 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.287 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.27 -52.19 13.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.491 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.25 -42.33 99.23 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.541 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.762 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.56 -37.92 89.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.596 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.287 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.47 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.513 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -32.8 64.22 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.762 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.33 -46.38 80.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.953 0.406 . . . . 0.0 110.52 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.77 -48.97 79.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.898 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.41 -42.96 99.83 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.85 -46.33 75.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.476 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.745 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.8 ttp -69.02 -49.74 54.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.554 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.56 -49.06 84.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.491 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.83 -42.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.547 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.165 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.65 -47.53 44.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.237 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.83 -51.58 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.501 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.324 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.65 -48.07 36.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.524 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.838 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.66 -52.73 7.0 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.165 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.02 -54.94 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.484 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.237 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.62 -55.01 27.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.46 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.324 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.21 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.484 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.838 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.64 -47.3 62.65 Favored Glycine 0 N--CA 1.461 0.355 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.968 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.14 -42.72 87.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.573 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.53 -45.3 81.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.459 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.1 tp -54.84 -33.84 62.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.464 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.972 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.63 -44.52 96.83 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.505 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.993 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.4 69.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.637 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 1.061 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.3 -45.31 48.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.552 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.96 -42.66 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.48 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.972 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.88 -44.0 51.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.469 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.993 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.92 -42.67 57.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.383 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 1.061 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.81 -40.64 60.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.505 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.603 -0.726 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 120.868 0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.538 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.56 -44.79 62.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.475 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.778 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.54 -34.02 67.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.496 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.88 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.552 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.78 60.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.55 -38.3 68.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.502 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.778 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.97 -45.04 87.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.497 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.05 -47.81 76.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.509 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.986 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.62 -41.16 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.509 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.63 38.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.401 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -56.54 -54.18 48.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.486 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.28 67.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.495 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.256 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.23 -52.24 12.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.478 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.25 99.2 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.506 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.766 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.73 -37.82 88.88 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.585 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.256 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.6 -32.48 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.497 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.79 64.09 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.766 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.26 -46.43 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.522 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.96 79.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.477 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.899 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.32 -43.05 99.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.536 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.655 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.36 75.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.458 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.756 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.82 54.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.564 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.44 -49.05 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.531 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 26' ' ' TRP . 67.0 t -56.97 -42.2 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.485 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.202 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.6 -47.51 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.572 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.28 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.93 -51.45 72.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.481 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.339 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.71 -48.09 35.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.507 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.853 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.69 -52.73 6.97 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.202 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.91 -54.98 9.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.562 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.28 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.63 -55.06 26.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.339 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.79 -37.09 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.538 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.853 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.34 62.06 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.973 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.0 -42.73 87.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.895 0.378 . . . . 0.0 110.629 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.5 -45.4 81.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.496 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.8 -33.78 61.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.539 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.943 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.54 96.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.465 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.992 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.42 69.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.553 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 1.097 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.26 -45.37 48.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.9 -42.71 57.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.453 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.943 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.3 m -74.89 -43.96 51.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.496 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.992 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.89 -42.67 57.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.478 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 1.097 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.67 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.428 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.65 -0.704 . . . . 0.0 . -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.212 0 CA-C-O 120.882 0.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.73 -37.68 73.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.477 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.59 -44.8 62.92 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.501 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.788 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.46 -33.98 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.56 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.84 70.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.523 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.7 -42.76 60.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.57 -38.31 67.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.788 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.93 -45.14 87.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.437 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.9 -47.85 76.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.517 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.964 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.7 -41.25 70.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.442 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.46 -48.63 39.37 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.54 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.55 -54.2 48.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.462 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.87 -30.24 67.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.541 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.281 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.29 -52.19 13.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.469 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -42.23 99.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.773 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.74 -37.85 89.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.508 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.281 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.55 -32.61 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 -32.86 64.43 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.773 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.7 m-85 -65.31 -46.4 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.519 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.81 -48.9 79.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.514 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.89 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.04 99.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.537 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.79 -46.35 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.457 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.756 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.04 -49.78 54.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.56 -48.96 84.51 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.527 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.3 t -56.98 -42.16 78.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.542 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.223 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.48 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.557 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.206 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.84 -51.5 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.526 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.332 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.84 -47.91 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.539 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.861 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.61 6.97 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.223 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.02 -54.98 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.492 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.206 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.0 m -63.58 -54.99 27.32 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.494 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.332 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.89 -37.12 47.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.435 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.861 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.29 62.32 Favored Glycine 0 N--CA 1.461 0.335 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.98 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.6 mm -59.05 -42.8 87.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 110.582 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.42 -45.36 80.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.547 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.82 -33.74 61.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.474 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.951 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.481 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.997 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.71 -43.43 68.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.58 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 1.088 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.25 -45.4 48.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.5 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.76 -42.74 57.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.596 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.951 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.2 m -75.01 -43.85 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.464 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.997 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.99 -42.65 57.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.439 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 1.088 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.76 -40.65 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.531 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.61 -0.723 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.78 73.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.526 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.51 -44.81 62.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.498 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.791 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.87 67.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.519 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.81 69.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.64 -42.84 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.471 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.47 -38.37 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.525 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.791 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.94 -45.04 87.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.47 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.01 -47.83 76.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.472 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.961 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.66 -41.14 69.78 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.527 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.56 38.98 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.503 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -56.57 -54.24 48.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.16 67.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.52 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.246 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.38 -52.15 12.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.453 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.37 -42.21 99.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.539 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.763 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.67 -37.89 89.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.498 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.246 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.6 -32.43 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.8 63.92 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.763 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.39 -46.31 80.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.494 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.99 79.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.505 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.897 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.37 -43.01 99.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.49 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.652 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.89 -46.39 75.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.428 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.754 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.96 -49.74 55.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.582 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.61 -48.96 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.472 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -57.01 -42.18 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.442 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.19 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.63 -47.52 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.554 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.246 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.77 -51.47 72.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.617 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.347 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.77 -48.1 35.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.507 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.861 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.61 -52.71 7.06 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.19 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.94 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.532 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.246 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.58 -55.03 26.99 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.481 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.347 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.84 -37.08 47.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.431 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.861 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.79 -47.26 62.06 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.953 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.11 -42.68 87.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.59 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.36 81.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.492 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.85 -33.83 62.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.969 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.64 -44.49 96.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.472 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.998 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.44 69.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.599 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 1.089 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.22 -45.39 48.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.537 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.65 57.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.54 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.969 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.93 -43.98 51.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.47 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.998 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.91 -42.68 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.36 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 1.089 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.86 -40.62 60.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.475 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.625 -0.716 . . . . 0.0 . 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 120.929 0.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.85 73.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.482 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.36 -44.83 62.18 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.556 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.789 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.6 -33.93 67.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.479 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.88 69.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.73 60.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.435 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.54 -38.36 68.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.789 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.91 -45.04 87.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.491 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.03 -47.75 76.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.565 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.971 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.83 -41.03 70.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.455 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.62 -48.62 38.07 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.499 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.48 -54.29 47.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.483 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.11 67.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.28 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.39 -52.14 12.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.492 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.27 99.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.589 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.764 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.1 ttp -64.62 -37.88 89.1 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.586 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.28 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.57 -32.48 42.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.464 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.64 -32.76 64.04 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.764 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.7 m-85 -65.33 -46.42 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.494 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.77 -48.86 79.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.542 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.902 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.79 -46.38 75.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.479 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.751 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.97 -49.8 54.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.567 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.54 -48.93 84.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.556 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.3 t -57.04 -42.13 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.197 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.64 -47.49 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.563 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.246 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.91 -51.45 72.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.486 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.25 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.4 t -74.83 -47.97 35.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.437 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.848 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.76 -52.66 6.96 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.197 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.01 -54.95 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 0.0 110.535 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.246 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.8 m -63.67 -55.0 26.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.435 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.25 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.81 -37.18 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.417 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.848 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.17 62.88 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.984 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.82 87.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.901 0.381 . . . . 0.0 110.566 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.43 -45.38 80.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.539 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.2 tp -54.88 -33.79 62.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.376 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.962 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.71 -44.43 96.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.488 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 1.001 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.46 68.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.602 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 1.092 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.31 -45.34 48.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.519 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.89 -42.65 57.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.527 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.962 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.97 -43.91 51.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.499 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 1.001 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.63 57.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 1.092 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.68 60.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.503 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.615 -0.721 . . . . 0.0 . 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.13 0 CA-C-O 120.813 0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.67 73.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.485 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.52 -44.88 62.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.48 -34.04 67.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.468 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.9 70.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.68 -42.69 60.97 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.542 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.61 -38.35 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.447 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.9 -45.06 87.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.493 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.8 76.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.49 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.986 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.65 -41.14 69.74 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.583 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.57 39.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.563 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -56.55 -54.24 48.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.511 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.28 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.503 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.277 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.0 m -74.28 -52.16 13.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.512 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.24 -42.35 99.24 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.522 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.745 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.53 -37.91 89.19 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.612 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.277 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.6 -32.47 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.519 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.56 -32.78 64.25 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.745 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.32 -46.42 80.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.52 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.94 79.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.893 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.4 -42.98 99.84 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.591 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.83 -46.34 75.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.484 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.752 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.98 -49.77 54.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.58 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.56 -49.04 84.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.512 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.8 -42.27 77.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.559 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.193 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.3 t -73.64 -47.54 44.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.461 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.23 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.82 -51.6 70.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.458 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.31 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.65 -48.08 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.67 -52.75 6.98 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.193 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.98 -54.94 9.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.23 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.5 m -63.66 -55.04 26.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.31 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.75 -37.22 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.457 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.65 -47.33 62.44 Favored Glycine 0 N--CA 1.461 0.36 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.969 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.13 -42.68 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.941 0.401 . . . . 0.0 110.61 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.53 -45.3 81.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.431 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.553 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.2 tp -54.89 -33.8 62.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.463 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.963 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.65 -44.51 96.83 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.511 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.994 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.37 69.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.647 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 1.065 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.28 -45.34 48.24 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.55 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.94 -42.65 57.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.472 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.963 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.91 -44.01 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.482 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.994 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.88 -42.67 57.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.401 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 1.065 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.85 -40.62 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.593 -0.73 . . . . 0.0 . 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.852 0.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.67 -37.75 73.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.556 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.51 -44.85 62.69 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.5 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.781 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.49 -34.04 67.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.88 70.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.515 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.79 60.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.56 -38.23 68.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.512 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.781 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 48.4 t -65.02 -45.04 87.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.473 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.07 -47.75 76.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.532 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.989 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.59 -41.21 69.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.541 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.61 38.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.409 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.57 -54.17 49.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.471 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.24 67.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.512 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.233 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.27 -52.24 12.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.468 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.28 -42.23 99.17 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.54 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.763 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.76 -37.76 88.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.233 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.67 -32.39 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.517 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.66 -32.84 63.93 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.763 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.23 -46.43 80.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.537 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.93 79.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.495 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.9 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.36 -43.05 99.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.508 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.35 75.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.747 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.8 ttp -68.96 -49.85 54.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.566 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.39 -49.02 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.591 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -56.98 -42.26 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.46 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.196 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.58 -47.52 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.277 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.96 -51.42 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.459 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.356 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.71 -48.11 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.478 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.854 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.68 -52.71 6.99 Favored Glycine 0 N--CA 1.461 0.322 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.196 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.93 -54.94 9.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.869 0.366 . . . . 0.0 110.592 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.277 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.62 -55.05 26.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.447 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.356 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.08 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.582 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.854 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.28 62.12 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.966 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -58.98 -42.76 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.903 0.382 . . . . 0.0 110.646 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.46 -45.38 80.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.54 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.1 tp -54.82 -33.78 62.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.505 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.971 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.57 96.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.464 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.987 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.39 69.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.562 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 1.084 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.3 -45.32 48.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.516 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.589 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.94 -42.68 57.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.971 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -43.98 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.477 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.987 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.91 -42.63 57.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.446 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 1.084 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.82 -40.69 60.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.423 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.653 -0.703 . . . . 0.0 . -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.218 0 CA-C-O 120.898 0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.75 -37.68 73.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.58 -44.81 62.91 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.515 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.784 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.47 -34.01 67.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.505 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.0 -46.87 70.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.7 -42.8 60.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.392 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.29 68.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.784 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.94 -45.17 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.86 -47.84 76.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.529 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.974 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.19 70.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.425 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.49 -48.63 39.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.529 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.57 -54.21 48.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.88 -30.22 67.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.532 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.278 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.7 m -74.3 -52.19 13.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.465 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.25 99.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.746 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.1 ttp -64.72 -37.84 88.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.531 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.278 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.59 -32.62 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 -32.85 64.46 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.746 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.34 -46.34 80.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.531 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.87 -48.89 79.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.499 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.906 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.35 -43.08 99.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.528 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.72 -46.39 75.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.487 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.755 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.8 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.6 t -63.49 -49.01 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.565 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.99 -42.12 78.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.53 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.19 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.66 -47.45 44.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.244 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.89 -51.5 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.526 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.305 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.82 -47.92 35.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.54 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.848 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.58 6.99 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.19 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.05 -54.95 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.494 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.244 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.56 -55.06 26.79 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.492 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.305 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.83 -37.13 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.446 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.848 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.25 62.4 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.974 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.1 -42.77 87.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.895 0.379 . . . . 0.0 110.584 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.702 ' HE2' ' HD2' ' A' ' 44' ' ' LYS . 88.2 tttt -56.43 -45.35 80.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.541 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.85 -33.75 62.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.448 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.926 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.77 -44.41 96.93 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.51 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.994 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.43 68.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.57 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 1.094 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 62.7 mtpt -74.26 -45.41 47.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.458 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.71 -42.79 57.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.573 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.926 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.02 -43.83 51.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.994 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.96 -42.64 57.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.485 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 1.094 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.65 61.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.517 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.624 -0.717 . . . . 0.0 . -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 120.848 0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.7 -37.73 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.53 -44.85 62.74 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.469 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.787 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.89 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.518 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.82 70.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.545 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.67 -42.83 60.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.452 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.48 -38.41 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.519 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.787 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.9 -45.02 87.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.506 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.05 -47.8 76.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.442 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.974 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.12 69.84 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.526 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.55 39.11 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.511 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.63 -54.22 48.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.97 -30.15 67.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.474 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.233 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.8 m -74.41 -52.1 13.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.484 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.38 -42.23 99.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.509 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.68 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.495 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.233 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.42 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.449 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.79 63.93 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.539 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 92.0 t80 -65.42 -46.29 80.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.48 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.99 79.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.501 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.904 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -43.0 99.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.494 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.89 -46.4 75.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.592 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.0 -49.74 55.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.539 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.6 -48.93 84.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.504 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -57.04 -42.15 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.48 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.224 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.57 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.534 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.234 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.71 -51.49 72.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.632 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.364 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.78 -48.07 35.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.516 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.855 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.66 -52.64 7.07 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.224 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.03 -54.92 9.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.528 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.234 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.58 -55.06 26.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.466 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.364 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.15 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.394 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.855 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.27 62.23 Favored Glycine 0 N--CA 1.461 0.311 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.981 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.13 -42.68 87.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.876 0.369 . . . . 0.0 110.578 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.44 -45.38 80.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.525 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.596 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.1 tp -54.9 -33.77 62.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.501 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.963 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.9 m-30 -61.63 -44.54 96.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.469 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.998 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.63 -43.49 69.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.612 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 1.097 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.21 -45.35 48.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.565 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.596 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.95 -42.59 57.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.541 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.963 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.98 -43.95 51.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.436 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.998 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.94 -42.69 57.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.365 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 1.097 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.85 -40.64 60.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.432 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.652 -0.704 . . . . 0.0 . -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 120.916 0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.91 73.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.25 -44.9 61.85 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.558 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.79 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.58 -33.92 67.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.468 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.88 69.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.65 -42.76 60.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.464 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.52 -38.35 68.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.554 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.79 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.92 -45.01 87.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.05 -47.75 76.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.537 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.965 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.12 70.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.45 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.62 38.09 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.489 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.46 -54.32 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.1 67.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.567 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.275 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.1 m -74.39 -52.13 13.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.33 -42.29 99.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.564 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.61 -37.87 89.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.586 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.275 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.61 -32.46 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.437 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.6 -32.84 64.09 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.32 -46.37 80.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.83 -48.85 80.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.534 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.904 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.499 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.76 -46.38 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.48 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.581 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.01 -49.75 54.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.545 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.58 -48.93 84.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.554 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.99 -42.15 78.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.209 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.64 -47.48 44.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.575 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.264 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.91 -51.46 72.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.477 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.263 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.85 -47.94 35.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.846 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.78 -52.64 6.95 Favored Glycine 0 N--CA 1.462 0.384 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.209 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.05 -54.95 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.494 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.264 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 96.9 m -63.67 -55.0 26.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.441 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.263 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.25 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.45 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.846 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.69 -47.18 63.06 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.976 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.1 -42.75 87.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.881 0.372 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.34 80.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.563 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.567 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.93 -33.78 62.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.345 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.955 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.69 -44.44 96.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.993 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.42 69.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.614 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 1.096 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.38 -45.33 47.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.84 -42.69 57.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.54 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.955 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.91 -43.97 51.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.477 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.993 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.88 -42.66 57.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.466 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 1.096 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.81 -40.68 60.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.501 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.618 -0.719 . . . . 0.0 . 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.139 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.68 73.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.45 -44.92 62.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.513 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.784 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.52 -33.98 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.483 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.85 70.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.571 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.69 -42.67 60.95 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.55 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.62 -38.36 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.413 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.784 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.89 -45.08 87.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.505 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.78 76.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.482 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.974 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.71 -41.09 69.88 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.58 38.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.56 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.57 -54.23 48.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.481 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.83 -30.3 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.511 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.321 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.0 m -74.28 -52.11 13.28 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.532 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.28 -42.34 99.26 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.52 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.55 -37.88 89.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.63 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.321 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.64 -32.42 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.78 64.18 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.32 -46.42 80.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.406 . . . . 0.0 110.521 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.69 -48.97 79.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.573 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.89 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.4 -42.96 99.83 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.602 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.88 -46.33 75.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.46 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.592 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -68.97 -49.78 54.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.561 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.54 -49.02 84.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.527 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.9 t -56.9 -42.2 78.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.537 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.163 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.65 -47.57 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.437 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.249 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.81 -51.61 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.43 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.307 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.66 -48.1 35.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.469 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.65 -52.77 6.98 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.163 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.96 -54.89 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.512 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.249 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.72 -55.03 26.43 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.307 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.72 -37.25 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.485 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.6 -47.32 62.73 Favored Glycine 0 N--CA 1.461 0.344 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.98 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.15 -42.71 87.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 110.588 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.36 80.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.1 tp -54.84 -33.79 62.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.508 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.955 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.68 -44.54 96.76 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.493 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 1.005 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.65 -43.36 69.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.643 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 1.06 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.31 -45.35 48.0 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.554 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.58 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.9 -42.67 57.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.487 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.955 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -44.0 51.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 1.005 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.68 57.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.376 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 1.06 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.83 -40.65 60.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.595 -0.729 . . . . 0.0 . 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.878 0.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.61 -37.83 73.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.532 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.48 -44.85 62.58 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.782 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.48 -34.0 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.569 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -46.87 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.504 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.85 60.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.363 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.54 -38.17 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.543 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.782 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 48.4 t -65.07 -45.06 86.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.426 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.76 76.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.514 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.988 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.58 -41.24 69.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.51 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.6 38.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.404 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.62 -54.15 49.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.44 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.28 67.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.525 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.305 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.27 -52.2 13.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.473 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.21 99.18 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.566 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.76 -37.76 88.7 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.634 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.305 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.7 -32.35 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.539 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.78 63.92 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.544 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.26 -46.42 80.59 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.97 0.414 . . . . 0.0 110.526 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.81 -48.92 79.74 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.477 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.878 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.02 99.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.513 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.85 -46.32 75.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.59 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.0 -49.84 54.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.38 -49.06 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.598 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -56.94 -42.29 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.486 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.192 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.52 -47.52 44.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.572 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.261 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.98 -51.41 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.427 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.347 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.7 -48.12 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.496 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.855 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.66 7.0 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.192 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.94 -54.98 9.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.895 0.379 . . . . 0.0 110.607 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.261 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.57 -55.07 26.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.44 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.347 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.8 -37.11 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.553 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.855 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.67 -47.32 62.34 Favored Glycine 0 C--N 1.331 0.279 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.974 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.2 mm -59.0 -42.73 87.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.878 0.37 . . . . 0.0 110.632 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.49 -45.4 81.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.519 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.77 -33.82 61.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.513 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.972 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.58 96.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.985 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.42 69.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.57 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 1.067 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.29 -45.35 48.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.517 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.88 -42.7 57.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.469 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.972 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 100.0 m -74.9 -43.98 51.32 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.985 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.66 57.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.431 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 1.067 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.83 -40.68 60.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.398 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.644 -0.707 . . . . 0.0 . -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.897 0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.84 -37.6 73.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.43 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.62 -44.81 63.03 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.487 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.45 -34.01 67.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.506 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.88 70.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.52 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.72 -42.77 60.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.412 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.27 68.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.586 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.92 -45.17 86.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.441 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.82 -47.86 76.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.564 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.986 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.17 70.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.458 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.47 -48.65 39.15 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.56 -54.24 48.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.21 67.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.557 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 1.259 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.31 -52.15 13.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.26 99.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.75 -37.8 88.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.259 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.6 -32.66 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.4 -32.85 64.63 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.37 -46.35 80.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.503 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.87 -48.86 79.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.892 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.4 t-105 -62.32 -43.14 99.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.533 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.68 -46.45 75.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.464 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.598 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -68.92 -49.84 54.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.596 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.3 t -63.47 -49.05 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.525 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.96 -42.14 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.516 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 1.222 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.69 -47.43 44.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.509 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 1.264 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.88 -51.51 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.529 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 1.282 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.77 -47.96 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.564 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.858 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.57 7.01 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 1.222 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.08 -54.9 9.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.49 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 1.264 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.63 -55.02 26.84 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 1.282 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.85 -37.12 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.446 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.858 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.28 62.2 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.985 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.07 -42.8 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.917 0.389 . . . . 0.0 110.559 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.46 -45.32 80.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.0 tp -54.79 -33.79 61.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.467 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.949 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.75 -44.44 96.9 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.535 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.982 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.7 -43.43 69.02 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.612 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 1.071 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.26 -45.36 48.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.489 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.588 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.79 -42.74 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.558 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.949 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.09 -43.8 50.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.45 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.982 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.92 -42.67 57.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.495 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 1.071 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.79 -40.69 60.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.482 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 115.658 -0.701 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.886 0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.72 73.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.512 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.57 -44.81 62.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.469 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.791 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.5 -33.97 67.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.524 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.84 69.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.512 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.75 60.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.55 -38.39 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.478 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.791 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.87 -45.08 87.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.03 -47.79 76.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.495 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.983 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.16 69.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.514 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.6 38.85 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.53 -54.23 48.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.48 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.95 -30.16 67.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.295 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.36 -52.19 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.427 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.34 -42.24 99.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.508 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.758 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.66 -37.89 89.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.544 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.295 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.57 -32.5 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.431 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.78 64.1 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.758 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.4 -46.32 80.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.489 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.93 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.506 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.903 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.45 -42.96 99.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.504 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.87 -46.35 75.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.433 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.751 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.01 -49.76 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.525 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.5 t -63.58 -48.98 84.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.492 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -56.96 -42.2 78.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.498 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.203 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.63 -47.5 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.261 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.85 -51.48 72.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.315 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.73 -48.12 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.487 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.858 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.65 -52.67 7.07 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.203 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.97 9.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 110.519 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.261 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.63 -54.99 27.13 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.472 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.315 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.17 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.444 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.858 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.27 62.28 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 110.509 -1.037 . . . . 0.0 110.509 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.978 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.75 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.596 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.37 80.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.484 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.584 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.2 mt -54.82 -33.78 62.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.978 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.7 -44.47 96.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.475 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 1.004 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.71 -43.44 68.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.571 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.895 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.22 -45.41 48.28 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.498 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.584 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.88 -42.65 57.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.524 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.978 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -43.98 51.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.504 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 1.004 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.91 -42.66 57.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.413 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.895 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.84 -40.65 60.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.467 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.634 -0.712 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 120.91 0.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.79 73.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.48 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.45 -44.79 62.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.782 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.6 -33.94 67.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.473 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.87 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.525 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.68 -42.77 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.454 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.52 -38.34 68.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.782 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.97 -45.03 87.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.461 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.04 -47.75 76.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.572 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.986 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.73 -41.16 70.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.462 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.53 -48.63 38.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.56 -54.22 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.458 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.91 -30.2 67.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.324 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.33 -52.18 12.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.765 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.65 -37.88 89.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.574 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.324 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.48 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.497 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.14 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.765 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.33 -46.41 80.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.517 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.74 -48.91 79.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.509 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.887 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.44 -43.03 99.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.513 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.652 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.8 -46.35 75.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.451 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.746 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.03 -49.77 54.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.544 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.54 -48.96 84.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.522 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -57.03 -42.12 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.516 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.165 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.67 -47.54 43.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.531 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.241 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.82 -51.49 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.494 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.26 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.8 -47.99 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.488 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.849 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.7 -52.7 6.98 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.165 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.99 -54.95 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 110.522 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.241 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.68 -54.99 26.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.43 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.26 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.75 -37.22 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.469 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.849 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.23 62.67 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.984 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.1 -42.74 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.899 0.381 . . . . 0.0 110.589 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.34 80.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.537 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.2 mt -54.87 -33.75 62.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.454 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.953 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.74 -44.48 96.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.47 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.988 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.44 69.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.592 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.892 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.29 -45.35 48.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.513 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.63 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.539 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.953 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.98 -43.91 51.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.482 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.988 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.95 -42.63 57.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.438 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.892 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.8 -40.67 60.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.51 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.617 -0.719 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.875 0.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.77 73.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.497 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.49 -44.79 62.61 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.78 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.53 -34.03 67.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.479 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.94 -46.86 70.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.572 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.67 -42.77 60.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.47 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.34 67.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.463 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.78 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.9 -45.09 87.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.462 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.98 -47.8 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.528 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.993 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.71 -41.16 69.98 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.523 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.57 39.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.684 ' O ' ' HG2' ' A' ' 21' ' ' MET . 74.8 m -56.51 -54.25 48.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.491 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.88 -30.25 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.483 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.287 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.33 -52.15 13.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.491 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -42.3 99.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.501 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.772 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 98.2 mmm -64.59 -37.91 89.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.576 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.287 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.46 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.15 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.772 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.32 -46.4 80.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.509 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.74 -48.97 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.531 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.883 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -42.99 99.85 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.34 75.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.449 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.756 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.03 -49.77 54.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.521 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.55 -49.01 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.501 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.91 -42.2 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.549 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.205 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.63 -47.57 44.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.504 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.225 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.79 -51.56 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.506 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.343 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.71 -48.02 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.504 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.837 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.69 -52.73 6.98 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.205 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.97 -54.96 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.503 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.225 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.63 -54.99 27.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.474 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.343 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.82 -37.18 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.46 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.837 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.68 -47.27 62.57 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.974 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.3 mm -59.11 -42.77 87.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.915 0.388 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.34 80.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.497 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 86.4 mt -54.87 -33.76 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.969 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.7 -44.49 96.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.473 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.998 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.7 -43.4 69.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.612 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.883 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.25 -45.38 48.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.553 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.91 -42.65 57.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.503 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.969 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 100.0 m -74.93 -43.96 51.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.474 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.998 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.93 -42.65 57.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.402 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.883 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.81 -40.64 60.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.504 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 120.915 0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.69 -37.74 73.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.55 -44.78 62.81 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.497 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.786 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.52 -34.01 67.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.511 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -46.86 70.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.554 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.69 -42.78 60.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.56 -38.3 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.477 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.786 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.97 -45.04 87.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.477 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.03 -47.82 76.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.978 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.63 -41.17 69.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.521 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.61 38.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.438 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.682 ' O ' ' HG2' ' A' ' 21' ' ' MET . 74.7 m -56.53 -54.21 48.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.472 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.91 -30.28 67.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.489 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.239 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.23 -52.2 13.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.527 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.33 -42.26 99.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.497 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.767 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 98.2 mmm -64.71 -37.81 88.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.566 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.239 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.65 -32.45 42.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.65 -32.74 64.05 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.767 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.3 -46.45 80.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.491 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.93 79.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.508 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.904 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.34 -43.03 99.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.535 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.88 -46.29 75.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.467 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.757 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.06 -49.78 54.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.5 -49.02 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.517 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.94 -42.19 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.516 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.229 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.52 44.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.537 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.271 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.88 -51.5 71.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.495 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.313 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.7 -48.07 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.512 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.848 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.7 6.97 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.229 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.9 -55.01 9.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.528 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.271 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.64 -55.01 26.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.388 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.313 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.83 -37.11 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.502 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.848 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.7 -47.32 62.19 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.987 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.6 mm -59.03 -42.76 87.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 110.603 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.44 -45.41 80.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.499 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.1 mt -54.82 -33.75 61.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.973 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.73 -44.46 96.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.448 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.991 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.41 69.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.577 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.91 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.29 -45.34 48.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.524 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.93 -42.65 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.483 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.973 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.95 -43.93 51.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.482 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.991 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.92 -42.64 57.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.467 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.91 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.79 -40.69 61.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.464 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 . -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.195 0 CA-C-O 120.888 0.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.72 -37.71 73.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.501 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.54 -44.79 62.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.78 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.54 -33.97 67.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.01 -46.87 70.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.68 -42.76 60.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.427 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.28 67.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.78 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.95 -45.08 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.98 -47.8 76.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.534 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.984 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.21 69.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.472 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.51 -48.63 38.98 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.517 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.54 -54.19 48.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.468 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.23 67.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.518 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.264 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.2 m -74.25 -52.19 13.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.49 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.34 -42.26 99.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.758 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.71 -37.83 88.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.537 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.264 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.55 -32.56 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.484 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -32.77 64.24 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.758 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.36 -46.4 80.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.5 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.92 79.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.497 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.906 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -43.05 99.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.51 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.651 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.78 -46.38 75.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.441 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.749 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.01 -49.8 54.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.544 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.53 -48.97 84.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.54 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.97 -42.15 78.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.533 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.226 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.69 -47.49 44.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.526 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.25 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.81 -51.5 71.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.347 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.8 -48.01 35.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.513 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.858 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.64 7.02 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.226 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.98 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 0.0 110.484 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.25 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.58 -55.02 27.03 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.456 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.347 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.84 -37.13 47.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.458 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.858 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.3 62.28 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.976 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.07 -42.78 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.577 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.45 -45.33 80.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.539 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.0 mt -54.85 -33.75 62.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.486 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.92 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.78 -44.43 96.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.467 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.979 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.75 -43.4 68.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.542 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.904 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.31 -45.37 47.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.485 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.571 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.83 -42.69 57.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.554 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.92 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.01 -43.89 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.465 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.979 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.95 -42.68 57.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.436 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.904 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.78 -40.63 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.593 -0.73 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.57 -44.78 62.86 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.48 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.789 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.91 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.505 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.08 -46.83 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.5 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.65 -42.79 60.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.463 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.52 -38.37 68.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.789 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.88 -45.07 87.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.483 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.99 -47.84 76.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.982 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.65 -41.17 69.77 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.58 38.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.481 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.54 -54.24 48.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.95 -30.18 67.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.483 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.22 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.33 -52.19 12.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.432 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.35 -42.22 99.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.511 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.762 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.68 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.503 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.22 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.47 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.469 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.64 -32.76 64.05 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.762 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.44 -46.29 80.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.473 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.96 79.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.498 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.903 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.02 99.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.5 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.86 -46.38 75.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.438 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.754 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.98 -49.77 54.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.532 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.7 t -63.57 -48.97 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.484 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.4 t -56.97 -42.22 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.468 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.225 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.65 -47.49 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.562 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.233 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.82 -51.5 71.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.557 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.328 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.72 -48.14 35.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.489 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.848 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.62 -52.68 7.08 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.225 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.01 -54.94 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.52 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.233 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.59 -55.05 26.79 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.476 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.328 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.81 -37.09 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.453 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.848 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.8 -47.27 61.94 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.965 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.71 87.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.36 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.498 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.1 tp -54.87 -33.77 62.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.955 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.989 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.42 69.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.618 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.057 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.23 -45.43 48.14 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.523 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.88 -42.63 57.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.555 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.955 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.88 -44.03 51.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.989 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.91 -42.65 57.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.401 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.057 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.84 -40.69 60.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.458 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.648 -0.705 . . . . 0.0 . 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.217 0 CA-C-O 120.927 0.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.89 73.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.465 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.38 -44.84 62.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.527 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.787 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.56 -33.97 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.463 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.87 69.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.507 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -73.68 -42.75 60.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.35 68.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.787 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.92 -45.06 87.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.0 -47.76 76.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.591 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.976 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.79 -41.1 70.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.429 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.62 38.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.502 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.55 -54.22 48.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.483 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.17 67.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.535 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.279 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.38 -52.16 12.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.488 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.29 -42.26 99.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.586 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.748 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.62 -37.89 89.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.579 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.279 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.49 42.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.476 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.15 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.748 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.33 -46.44 80.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.494 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.71 -48.88 79.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.563 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.902 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.49 -43.01 99.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.487 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.8 -46.39 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.456 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.752 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.78 54.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.576 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.51 -48.97 84.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.551 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -57.06 -42.09 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.2 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.66 -47.51 44.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.534 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.232 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.89 -51.47 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.472 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.247 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.8 -47.99 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.478 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.848 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.73 -52.71 6.95 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.2 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.99 -54.95 9.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.939 0.399 . . . . 0.0 110.532 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.232 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.8 m -63.65 -55.02 26.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.462 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.247 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.16 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.46 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.848 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.73 -47.23 62.53 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.983 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.03 -42.77 87.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 110.616 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.51 -45.32 81.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.519 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.583 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.1 tp -54.88 -33.79 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.396 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.968 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.72 -44.44 96.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.491 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 1.002 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.47 68.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.582 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.071 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.29 -45.35 48.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.496 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.583 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.64 57.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.968 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.96 -43.89 51.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.527 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 1.002 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.97 -42.61 57.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.472 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.071 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.78 -40.65 61.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.526 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.604 -0.725 . . . . 0.0 . 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.848 0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.69 73.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.49 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.53 -44.84 62.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.49 -34.04 67.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.85 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.75 60.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.518 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.37 67.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.438 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.87 -45.09 87.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.485 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.0 -47.8 76.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.992 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.71 -41.14 69.93 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.558 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.59 39.01 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.54 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.5 -54.25 48.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.518 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.26 67.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.479 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.287 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.27 -52.19 13.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.491 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.25 -42.33 99.23 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.541 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.762 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.56 -37.92 89.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.596 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.287 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.47 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.513 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -32.8 64.22 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.762 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.33 -46.38 80.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.953 0.406 . . . . 0.0 110.52 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.77 -48.97 79.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.898 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.41 -42.96 99.83 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.85 -46.33 75.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.476 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.745 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.8 ttp -69.02 -49.74 54.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.554 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.56 -49.06 84.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.491 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.83 -42.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.547 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.165 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.65 -47.53 44.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.237 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.83 -51.58 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.501 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.324 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.65 -48.07 36.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.524 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.838 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.66 -52.73 7.0 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.165 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.02 -54.94 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.484 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.237 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.62 -55.01 27.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.46 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.324 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.21 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.484 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.838 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.64 -47.3 62.65 Favored Glycine 0 N--CA 1.461 0.355 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.968 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.14 -42.72 87.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.573 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.53 -45.3 81.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.459 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.1 tp -54.84 -33.84 62.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.464 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.972 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.63 -44.52 96.83 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.505 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.993 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.4 69.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.637 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.061 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.3 -45.31 48.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.552 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.96 -42.66 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.48 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.972 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.88 -44.0 51.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.469 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.993 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.92 -42.67 57.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.383 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.061 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.81 -40.64 60.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.505 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.603 -0.726 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 120.868 0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.538 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.56 -44.79 62.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.475 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.778 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.54 -34.02 67.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.496 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.88 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.552 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.78 60.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.55 -38.3 68.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.502 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.778 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.97 -45.04 87.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.497 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.05 -47.81 76.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.509 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.986 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.62 -41.16 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.509 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.63 38.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.401 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -56.54 -54.18 48.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.486 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.28 67.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.495 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.256 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.23 -52.24 12.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.478 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.25 99.2 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.506 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.766 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.73 -37.82 88.88 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.585 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.256 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.6 -32.48 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.497 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.79 64.09 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.766 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.26 -46.43 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.522 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.96 79.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.477 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.899 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.32 -43.05 99.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.536 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.655 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.36 75.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.458 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.756 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.82 54.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.564 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.44 -49.05 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.531 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 26' ' ' TRP . 67.0 t -56.97 -42.2 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.485 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.202 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.6 -47.51 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.572 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.28 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.93 -51.45 72.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.481 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.339 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.71 -48.09 35.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.507 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.853 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.69 -52.73 6.97 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.202 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.91 -54.98 9.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.562 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.28 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.63 -55.06 26.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.339 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.79 -37.09 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.538 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.853 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.34 62.06 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.973 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.0 -42.73 87.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.895 0.378 . . . . 0.0 110.629 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.5 -45.4 81.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.496 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.8 -33.78 61.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.539 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.943 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.54 96.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.465 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.992 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.42 69.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.553 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.097 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.26 -45.37 48.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.9 -42.71 57.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.453 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.943 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.3 m -74.89 -43.96 51.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.496 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.992 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.89 -42.67 57.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.478 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.097 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.67 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.428 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.65 -0.704 . . . . 0.0 . -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.212 0 CA-C-O 120.882 0.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.73 -37.68 73.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.477 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.59 -44.8 62.92 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.501 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.788 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.46 -33.98 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.56 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.84 70.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.523 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.7 -42.76 60.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.57 -38.31 67.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.788 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.93 -45.14 87.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.437 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.9 -47.85 76.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.517 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.964 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.7 -41.25 70.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.442 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.46 -48.63 39.37 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.54 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.55 -54.2 48.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.462 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.87 -30.24 67.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.541 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.281 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.29 -52.19 13.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.469 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -42.23 99.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.773 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.74 -37.85 89.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.508 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.281 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.55 -32.61 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 -32.86 64.43 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.773 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.7 m-85 -65.31 -46.4 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.519 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.81 -48.9 79.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.514 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.89 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.04 99.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.537 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.79 -46.35 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.457 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.756 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.04 -49.78 54.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.56 -48.96 84.51 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.527 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.3 t -56.98 -42.16 78.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.542 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.223 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.48 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.557 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.206 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.84 -51.5 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.526 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.332 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.84 -47.91 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.539 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.861 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.61 6.97 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.223 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.02 -54.98 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.492 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.206 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.0 m -63.58 -54.99 27.32 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.494 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.332 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.89 -37.12 47.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.435 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.861 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.29 62.32 Favored Glycine 0 N--CA 1.461 0.335 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.98 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.6 mm -59.05 -42.8 87.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 110.582 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.42 -45.36 80.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.547 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.82 -33.74 61.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.474 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.951 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.481 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.997 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.71 -43.43 68.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.58 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.088 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.25 -45.4 48.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.5 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.76 -42.74 57.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.596 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.951 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.2 m -75.01 -43.85 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.464 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.997 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.99 -42.65 57.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.439 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.088 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.76 -40.65 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.531 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.61 -0.723 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.78 73.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.526 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.51 -44.81 62.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.498 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.791 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.87 67.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.519 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.81 69.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.64 -42.84 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.471 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.47 -38.37 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.525 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.791 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.94 -45.04 87.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.47 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.01 -47.83 76.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.472 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.961 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.66 -41.14 69.78 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.527 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.56 38.98 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.503 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -56.57 -54.24 48.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.16 67.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.52 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.246 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.38 -52.15 12.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.453 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.37 -42.21 99.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.539 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.763 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.67 -37.89 89.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.498 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.246 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.6 -32.43 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.8 63.92 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.763 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.39 -46.31 80.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.494 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.99 79.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.505 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.897 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.37 -43.01 99.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.49 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.652 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.89 -46.39 75.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.428 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.754 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.96 -49.74 55.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.582 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.61 -48.96 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.472 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -57.01 -42.18 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.442 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.19 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.63 -47.52 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.554 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.246 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.77 -51.47 72.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.617 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.347 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.77 -48.1 35.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.507 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.861 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.61 -52.71 7.06 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.19 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.94 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.532 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.246 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.58 -55.03 26.99 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.481 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.347 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.84 -37.08 47.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.431 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.861 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.79 -47.26 62.06 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.953 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.11 -42.68 87.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.59 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.36 81.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.492 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.85 -33.83 62.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.969 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.64 -44.49 96.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.472 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.998 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.44 69.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.599 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.089 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.22 -45.39 48.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.537 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.65 57.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.54 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.969 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.93 -43.98 51.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.47 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.998 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.91 -42.68 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.36 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.089 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.86 -40.62 60.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.475 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.625 -0.716 . . . . 0.0 . 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 120.929 0.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.85 73.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.482 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.36 -44.83 62.18 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.556 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.789 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.6 -33.93 67.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.479 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.88 69.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.73 60.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.435 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.54 -38.36 68.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.789 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.91 -45.04 87.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.491 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.03 -47.75 76.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.565 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.971 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.83 -41.03 70.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.455 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.62 -48.62 38.07 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.499 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.48 -54.29 47.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.483 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.11 67.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.28 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.39 -52.14 12.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.492 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.27 99.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.589 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.764 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.1 ttp -64.62 -37.88 89.1 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.586 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.28 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.57 -32.48 42.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.464 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.64 -32.76 64.04 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.764 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.7 m-85 -65.33 -46.42 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.494 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.77 -48.86 79.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.542 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.902 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.79 -46.38 75.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.479 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.751 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.97 -49.8 54.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.567 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.54 -48.93 84.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.556 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.3 t -57.04 -42.13 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.197 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.64 -47.49 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.563 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.246 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.91 -51.45 72.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.486 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.25 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.4 t -74.83 -47.97 35.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.437 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.848 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.76 -52.66 6.96 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.197 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.01 -54.95 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 0.0 110.535 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.246 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.8 m -63.67 -55.0 26.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.435 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.25 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.81 -37.18 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.417 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.848 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.17 62.88 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.984 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.82 87.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.901 0.381 . . . . 0.0 110.566 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.43 -45.38 80.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.539 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.2 tp -54.88 -33.79 62.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.376 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.962 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.71 -44.43 96.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.488 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 1.001 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.46 68.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.602 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.092 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.31 -45.34 48.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.519 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.89 -42.65 57.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.527 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.962 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.97 -43.91 51.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.499 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 1.001 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.63 57.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.092 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.68 60.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.503 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.615 -0.721 . . . . 0.0 . 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.13 0 CA-C-O 120.813 0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.67 73.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.485 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.52 -44.88 62.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.48 -34.04 67.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.468 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.9 70.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.68 -42.69 60.97 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.542 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.61 -38.35 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.447 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.9 -45.06 87.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.493 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.8 76.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.49 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.986 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.65 -41.14 69.74 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.583 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.57 39.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.563 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -56.55 -54.24 48.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.511 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.28 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.503 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.277 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.0 m -74.28 -52.16 13.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.512 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.24 -42.35 99.24 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.522 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.745 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.53 -37.91 89.19 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.612 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.277 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.6 -32.47 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.519 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.56 -32.78 64.25 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.745 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.32 -46.42 80.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.52 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.94 79.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.893 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.4 -42.98 99.84 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.591 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.83 -46.34 75.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.484 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.752 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.98 -49.77 54.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.58 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.56 -49.04 84.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.512 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.8 -42.27 77.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.559 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.193 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.3 t -73.64 -47.54 44.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.461 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.23 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.82 -51.6 70.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.458 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.31 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.65 -48.08 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.67 -52.75 6.98 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.193 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.98 -54.94 9.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.23 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.5 m -63.66 -55.04 26.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.31 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.75 -37.22 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.457 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.65 -47.33 62.44 Favored Glycine 0 N--CA 1.461 0.36 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.969 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.13 -42.68 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.941 0.401 . . . . 0.0 110.61 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.53 -45.3 81.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.431 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.553 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.2 tp -54.89 -33.8 62.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.463 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.963 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.65 -44.51 96.83 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.511 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.994 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.37 69.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.647 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.065 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.28 -45.34 48.24 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.55 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.94 -42.65 57.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.472 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.963 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.91 -44.01 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.482 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.994 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.88 -42.67 57.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.401 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.065 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.85 -40.62 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.593 -0.73 . . . . 0.0 . 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.852 0.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.67 -37.75 73.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.556 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.51 -44.85 62.69 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.5 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.781 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.49 -34.04 67.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.88 70.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.515 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.79 60.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.56 -38.23 68.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.512 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.781 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 48.4 t -65.02 -45.04 87.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.473 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.07 -47.75 76.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.532 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.989 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.59 -41.21 69.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.541 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.61 38.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.409 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.57 -54.17 49.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.471 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.24 67.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.512 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.233 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.27 -52.24 12.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.468 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.28 -42.23 99.17 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.54 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.763 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.76 -37.76 88.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.233 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.67 -32.39 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.517 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.66 -32.84 63.93 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.763 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.23 -46.43 80.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.537 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.93 79.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.495 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.9 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.36 -43.05 99.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.508 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.35 75.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.747 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.8 ttp -68.96 -49.85 54.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.566 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.39 -49.02 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.591 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -56.98 -42.26 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.46 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.196 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.58 -47.52 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.277 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.96 -51.42 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.459 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.356 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.71 -48.11 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.478 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.854 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.68 -52.71 6.99 Favored Glycine 0 N--CA 1.461 0.322 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.196 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.93 -54.94 9.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.869 0.366 . . . . 0.0 110.592 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.277 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.62 -55.05 26.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.447 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.356 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.08 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.582 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.854 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.28 62.12 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.966 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -58.98 -42.76 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.903 0.382 . . . . 0.0 110.646 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.46 -45.38 80.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.54 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.1 tp -54.82 -33.78 62.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.505 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.971 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.57 96.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.464 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.987 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.39 69.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.562 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.084 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.3 -45.32 48.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.516 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.589 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.94 -42.68 57.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.971 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -43.98 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.477 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.987 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.91 -42.63 57.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.446 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.084 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.82 -40.69 60.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.423 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.653 -0.703 . . . . 0.0 . -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.218 0 CA-C-O 120.898 0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.75 -37.68 73.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.58 -44.81 62.91 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.515 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.784 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.47 -34.01 67.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.505 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.0 -46.87 70.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.7 -42.8 60.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.392 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.29 68.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.784 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.94 -45.17 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.86 -47.84 76.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.529 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.974 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.19 70.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.425 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.49 -48.63 39.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.529 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.57 -54.21 48.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.88 -30.22 67.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.532 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.278 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.7 m -74.3 -52.19 13.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.465 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.25 99.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.746 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.1 ttp -64.72 -37.84 88.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.531 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.278 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.59 -32.62 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 -32.85 64.46 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.746 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.34 -46.34 80.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.531 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.87 -48.89 79.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.499 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.906 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.35 -43.08 99.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.528 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.72 -46.39 75.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.487 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.755 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.8 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.6 t -63.49 -49.01 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.565 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.99 -42.12 78.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.53 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.19 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.66 -47.45 44.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.244 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.89 -51.5 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.526 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.305 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.82 -47.92 35.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.54 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.848 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.58 6.99 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.19 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.05 -54.95 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.494 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.244 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.56 -55.06 26.79 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.492 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.305 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.83 -37.13 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.446 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.848 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.25 62.4 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.974 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.1 -42.77 87.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.895 0.379 . . . . 0.0 110.584 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.702 ' HE2' ' HD2' ' A' ' 44' ' ' LYS . 88.2 tttt -56.43 -45.35 80.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.541 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.85 -33.75 62.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.448 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.926 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.77 -44.41 96.93 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.51 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.994 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.43 68.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.57 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.094 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 62.7 mtpt -74.26 -45.41 47.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.458 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.71 -42.79 57.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.573 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.926 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.02 -43.83 51.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.994 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.96 -42.64 57.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.485 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.094 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.65 61.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.517 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.624 -0.717 . . . . 0.0 . -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 120.848 0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.7 -37.73 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.53 -44.85 62.74 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.469 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.787 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.89 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.518 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.82 70.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.545 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.67 -42.83 60.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.452 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.48 -38.41 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.519 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.787 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.9 -45.02 87.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.506 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.05 -47.8 76.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.442 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.974 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.12 69.84 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.526 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.55 39.11 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.511 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.63 -54.22 48.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.97 -30.15 67.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.474 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.233 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.8 m -74.41 -52.1 13.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.484 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.38 -42.23 99.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.509 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.68 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.495 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.233 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.42 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.449 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.79 63.93 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.539 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 92.0 t80 -65.42 -46.29 80.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.48 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.99 79.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.501 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.904 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -43.0 99.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.494 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.89 -46.4 75.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.592 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.0 -49.74 55.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.539 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.6 -48.93 84.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.504 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -57.04 -42.15 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.48 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.224 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.57 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.534 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.234 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.71 -51.49 72.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.632 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.364 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.78 -48.07 35.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.516 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.855 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.66 -52.64 7.07 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.224 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.03 -54.92 9.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.528 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.234 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.58 -55.06 26.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.466 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.364 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.15 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.394 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.855 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.27 62.23 Favored Glycine 0 N--CA 1.461 0.311 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.981 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.13 -42.68 87.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.876 0.369 . . . . 0.0 110.578 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.44 -45.38 80.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.525 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.596 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.1 tp -54.9 -33.77 62.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.501 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.963 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.9 m-30 -61.63 -44.54 96.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.469 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.998 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.63 -43.49 69.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.612 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.097 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.21 -45.35 48.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.565 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.596 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.95 -42.59 57.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.541 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.963 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.98 -43.95 51.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.436 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.998 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.94 -42.69 57.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.365 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.097 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.85 -40.64 60.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.432 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.652 -0.704 . . . . 0.0 . -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 120.916 0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.91 73.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.25 -44.9 61.85 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.558 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.79 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.58 -33.92 67.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.468 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.88 69.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.65 -42.76 60.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.464 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.52 -38.35 68.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.554 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.79 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.92 -45.01 87.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.05 -47.75 76.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.537 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.965 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.12 70.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.45 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.62 38.09 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.489 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.46 -54.32 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.1 67.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.567 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.275 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.1 m -74.39 -52.13 13.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.33 -42.29 99.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.564 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.61 -37.87 89.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.586 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.275 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.61 -32.46 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.437 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.6 -32.84 64.09 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.32 -46.37 80.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.83 -48.85 80.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.534 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.904 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.499 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.76 -46.38 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.48 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.581 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.01 -49.75 54.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.545 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.58 -48.93 84.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.554 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.99 -42.15 78.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.209 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.64 -47.48 44.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.575 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.264 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.91 -51.46 72.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.477 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.263 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.85 -47.94 35.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.846 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.78 -52.64 6.95 Favored Glycine 0 N--CA 1.462 0.384 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.209 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.05 -54.95 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.494 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.264 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 96.9 m -63.67 -55.0 26.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.441 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.263 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.25 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.45 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.846 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.69 -47.18 63.06 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.976 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.1 -42.75 87.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.881 0.372 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.34 80.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.563 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.567 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.93 -33.78 62.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.345 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.955 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.69 -44.44 96.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.993 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.42 69.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.614 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.096 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.38 -45.33 47.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.84 -42.69 57.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.54 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.955 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.91 -43.97 51.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.477 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.993 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.88 -42.66 57.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.466 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.096 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.81 -40.68 60.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.501 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.618 -0.719 . . . . 0.0 . 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.139 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.68 73.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.45 -44.92 62.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.513 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.784 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.52 -33.98 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.483 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.85 70.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.571 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.69 -42.67 60.95 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.55 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.62 -38.36 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.413 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.784 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.89 -45.08 87.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.505 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.78 76.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.482 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.974 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.71 -41.09 69.88 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.58 38.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.56 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.57 -54.23 48.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.481 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.83 -30.3 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.511 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.321 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.0 m -74.28 -52.11 13.28 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.532 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.28 -42.34 99.26 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.52 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.55 -37.88 89.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.63 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.321 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.64 -32.42 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.78 64.18 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.32 -46.42 80.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.406 . . . . 0.0 110.521 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.69 -48.97 79.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.573 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.89 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.4 -42.96 99.83 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.602 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.88 -46.33 75.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.46 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.592 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -68.97 -49.78 54.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.561 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.54 -49.02 84.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.527 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.9 t -56.9 -42.2 78.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.537 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.163 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.65 -47.57 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.437 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.249 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.81 -51.61 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.43 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.307 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.66 -48.1 35.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.469 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.65 -52.77 6.98 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.163 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.96 -54.89 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.512 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.249 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.72 -55.03 26.43 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.307 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.72 -37.25 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.485 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.6 -47.32 62.73 Favored Glycine 0 N--CA 1.461 0.344 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.98 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.15 -42.71 87.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 110.588 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.36 80.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.1 tp -54.84 -33.79 62.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.508 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.955 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.68 -44.54 96.76 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.493 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 1.005 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.65 -43.36 69.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.643 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.06 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.31 -45.35 48.0 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.554 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.58 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.9 -42.67 57.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.487 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.955 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -44.0 51.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 1.005 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.68 57.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.376 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.06 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.83 -40.65 60.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.595 -0.729 . . . . 0.0 . 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.878 0.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.61 -37.83 73.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.532 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.48 -44.85 62.58 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.782 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.48 -34.0 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.569 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -46.87 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.504 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.85 60.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.363 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.54 -38.17 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.543 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.782 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 48.4 t -65.07 -45.06 86.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.426 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.76 76.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.514 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.988 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.58 -41.24 69.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.51 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.6 38.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.404 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.62 -54.15 49.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.44 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.28 67.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.525 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.305 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.27 -52.2 13.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.473 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.21 99.18 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.566 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.76 -37.76 88.7 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.634 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.305 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.7 -32.35 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.539 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.78 63.92 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.544 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.26 -46.42 80.59 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.97 0.414 . . . . 0.0 110.526 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.81 -48.92 79.74 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.477 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.878 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.02 99.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.513 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.85 -46.32 75.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.59 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.0 -49.84 54.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.38 -49.06 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.598 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -56.94 -42.29 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.486 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.192 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.52 -47.52 44.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.572 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.261 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.98 -51.41 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.427 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.347 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.7 -48.12 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.496 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.855 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.66 7.0 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.192 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.94 -54.98 9.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.895 0.379 . . . . 0.0 110.607 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.261 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.57 -55.07 26.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.44 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.347 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.8 -37.11 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.553 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.855 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.67 -47.32 62.34 Favored Glycine 0 C--N 1.331 0.279 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.974 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.2 mm -59.0 -42.73 87.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.878 0.37 . . . . 0.0 110.632 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.49 -45.4 81.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.519 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.77 -33.82 61.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.513 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.972 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.58 96.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.985 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.42 69.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.57 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.067 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.29 -45.35 48.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.517 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.88 -42.7 57.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.469 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.972 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 100.0 m -74.9 -43.98 51.32 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.985 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.66 57.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.431 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.067 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.83 -40.68 60.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.398 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.644 -0.707 . . . . 0.0 . -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.897 0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.84 -37.6 73.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.43 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.62 -44.81 63.03 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.487 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.45 -34.01 67.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.506 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.88 70.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.52 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.72 -42.77 60.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.412 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.27 68.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.586 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.92 -45.17 86.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.441 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.82 -47.86 76.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.564 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.986 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.17 70.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.458 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.47 -48.65 39.15 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.56 -54.24 48.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.21 67.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.557 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 1.259 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.31 -52.15 13.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.26 99.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.75 -37.8 88.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.259 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.6 -32.66 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.4 -32.85 64.63 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.37 -46.35 80.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.503 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.87 -48.86 79.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.892 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.4 t-105 -62.32 -43.14 99.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.533 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.68 -46.45 75.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.464 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.598 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -68.92 -49.84 54.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.596 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.3 t -63.47 -49.05 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.525 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.96 -42.14 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.516 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 1.222 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.69 -47.43 44.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.509 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 1.264 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.88 -51.51 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.529 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 1.282 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.77 -47.96 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.564 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.858 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.57 7.01 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 1.222 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.08 -54.9 9.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.49 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 1.264 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.63 -55.02 26.84 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 1.282 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.85 -37.12 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.446 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.858 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.28 62.2 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.985 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.07 -42.8 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.917 0.389 . . . . 0.0 110.559 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.46 -45.32 80.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.0 tp -54.79 -33.79 61.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.467 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.949 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.75 -44.44 96.9 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.535 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.982 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.7 -43.43 69.02 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.612 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.071 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.26 -45.36 48.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.489 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.588 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.79 -42.74 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.558 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.949 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.09 -43.8 50.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.45 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.982 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.92 -42.67 57.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.495 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.071 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.79 -40.69 60.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.482 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 115.658 -0.701 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.886 0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.72 73.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.512 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.57 -44.81 62.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.469 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.791 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.5 -33.97 67.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.524 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.84 69.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.512 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.75 60.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.55 -38.39 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.478 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.791 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.87 -45.08 87.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.03 -47.79 76.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.495 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.983 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.16 69.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.514 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.6 38.85 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.53 -54.23 48.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.48 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.95 -30.16 67.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.3 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.36 -52.19 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.427 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.34 -42.24 99.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.508 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.759 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.66 -37.89 89.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.544 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.3 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.57 -32.5 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.431 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.78 64.1 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.759 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.4 -46.32 80.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.489 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.93 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.506 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.909 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.45 -42.96 99.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.504 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.87 -46.35 75.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.433 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.76 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.01 -49.76 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.525 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.5 t -63.58 -48.98 84.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.492 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -56.96 -42.2 78.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.498 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.207 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.63 -47.5 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.253 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.85 -51.48 72.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.318 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.73 -48.12 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.487 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.849 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.65 -52.67 7.07 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.207 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.97 9.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 110.519 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.253 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.63 -54.99 27.13 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.472 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.318 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.17 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.444 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.849 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.27 62.28 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 110.509 -1.037 . . . . 0.0 110.509 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.977 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.75 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.596 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.37 80.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.484 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.563 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 86.2 mt -54.82 -33.78 62.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.971 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.7 -44.47 96.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.475 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.022 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.71 -43.44 68.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.571 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.912 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.22 -45.41 48.28 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.498 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.88 -42.65 57.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.524 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.971 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -43.98 51.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.504 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.022 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.91 -42.66 57.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.413 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.912 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.84 -40.65 60.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.467 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.634 -0.712 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 120.91 0.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.79 73.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.48 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.45 -44.79 62.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.782 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.6 -33.94 67.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.473 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.87 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.525 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.68 -42.77 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.454 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.52 -38.34 68.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.782 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.97 -45.03 87.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.461 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.04 -47.75 76.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.572 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.969 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.73 -41.16 70.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.462 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.53 -48.63 38.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.56 -54.22 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.458 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.91 -30.2 67.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.331 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.33 -52.18 12.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.773 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.65 -37.88 89.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.574 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.331 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.48 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.497 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.14 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.773 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.33 -46.41 80.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.517 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.74 -48.91 79.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.509 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.892 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.44 -43.03 99.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.513 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.657 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.8 -46.35 75.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.451 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.754 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.03 -49.77 54.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.544 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.54 -48.96 84.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.522 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -57.03 -42.12 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.516 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.177 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.67 -47.54 43.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.531 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.254 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.82 -51.49 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.494 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.258 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.8 -47.99 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.488 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.84 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.7 -52.7 6.98 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.177 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.99 -54.95 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 110.522 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.254 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.68 -54.99 26.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.43 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.258 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.75 -37.22 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.469 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.84 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.23 62.67 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.981 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.1 -42.74 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.899 0.381 . . . . 0.0 110.589 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.34 80.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.537 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.2 mt -54.87 -33.75 62.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.454 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.943 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.74 -44.48 96.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.47 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.003 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.44 69.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.592 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.91 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.29 -45.35 48.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.513 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.63 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.539 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.943 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.98 -43.91 51.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.482 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.003 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.95 -42.63 57.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.438 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.91 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.8 -40.67 60.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.51 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.617 -0.719 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.875 0.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.77 73.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.497 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.49 -44.79 62.61 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.78 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.53 -34.03 67.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.479 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.94 -46.86 70.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.572 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.67 -42.77 60.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.47 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.34 67.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.463 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.78 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.9 -45.09 87.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.462 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.98 -47.8 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.528 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.993 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.71 -41.16 69.98 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.523 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.57 39.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.692 ' O ' ' HG2' ' A' ' 21' ' ' MET . 74.8 m -56.51 -54.25 48.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.491 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.88 -30.25 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.483 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.296 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.33 -52.15 13.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.491 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -42.3 99.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.501 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.78 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 98.2 mmm -64.59 -37.91 89.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.576 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.296 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.46 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.15 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.78 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.32 -46.4 80.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.509 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.74 -48.97 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.531 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.888 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -42.99 99.85 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.34 75.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.449 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.765 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.03 -49.77 54.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.521 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.55 -49.01 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.501 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.91 -42.2 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.549 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.216 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.63 -47.57 44.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.504 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.229 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.79 -51.56 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.506 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.356 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.71 -48.02 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.504 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.826 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.69 -52.73 6.98 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.216 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.97 -54.96 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.503 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.229 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.63 -54.99 27.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.474 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.356 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.82 -37.18 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.46 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.826 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.68 -47.27 62.57 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.981 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.3 mm -59.11 -42.77 87.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.915 0.388 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.34 80.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.497 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 86.4 mt -54.87 -33.76 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.966 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.7 -44.49 96.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.473 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.016 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.7 -43.4 69.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.612 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.9 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.25 -45.38 48.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.553 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.91 -42.65 57.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.503 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.966 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 100.0 m -74.93 -43.96 51.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.474 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.016 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.93 -42.65 57.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.402 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.9 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.81 -40.64 60.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.504 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 120.915 0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.69 -37.74 73.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.55 -44.78 62.81 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.497 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.786 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.52 -34.01 67.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.511 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -46.86 70.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.554 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.69 -42.78 60.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.56 -38.3 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.477 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.786 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.97 -45.04 87.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.477 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.03 -47.82 76.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.967 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.63 -41.17 69.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.521 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.61 38.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.438 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.689 ' O ' ' HG2' ' A' ' 21' ' ' MET . 74.7 m -56.53 -54.21 48.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.472 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.91 -30.28 67.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.489 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.23 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.23 -52.2 13.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.527 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.33 -42.26 99.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.497 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.774 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 98.2 mmm -64.71 -37.81 88.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.566 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.23 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.65 -32.45 42.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.65 -32.74 64.05 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.774 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.3 -46.45 80.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.491 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.93 79.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.508 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.908 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.34 -43.03 99.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.535 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.88 -46.29 75.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.467 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.766 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.06 -49.78 54.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.5 -49.02 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.517 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.94 -42.19 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.516 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.236 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.52 44.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.537 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.284 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.88 -51.5 71.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.495 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.298 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.7 -48.07 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.512 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.84 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.7 6.97 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.236 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.9 -55.01 9.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.528 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.284 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.64 -55.01 26.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.388 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.298 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.83 -37.11 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.502 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.84 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.7 -47.32 62.19 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.995 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.6 mm -59.03 -42.76 87.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 110.603 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.44 -45.41 80.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.499 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.1 mt -54.82 -33.75 61.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.969 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.73 -44.46 96.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.448 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.012 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.41 69.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.577 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.93 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.29 -45.34 48.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.524 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.93 -42.65 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.483 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.969 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.95 -43.93 51.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.482 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.012 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.92 -42.64 57.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.467 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.93 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.79 -40.69 61.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.464 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 . -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.195 0 CA-C-O 120.888 0.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.72 -37.71 73.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.501 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.54 -44.79 62.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.78 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.54 -33.97 67.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.01 -46.87 70.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.68 -42.76 60.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.427 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.28 67.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.78 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.95 -45.08 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.98 -47.8 76.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.534 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.984 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.21 69.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.472 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.51 -48.63 38.98 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.517 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.54 -54.19 48.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.468 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.23 67.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.518 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.259 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.2 m -74.25 -52.19 13.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.49 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.34 -42.26 99.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.768 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.71 -37.83 88.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.537 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.259 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.55 -32.56 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.484 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -32.77 64.24 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.768 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.36 -46.4 80.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.5 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.92 79.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.497 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.91 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -43.05 99.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.51 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.78 -46.38 75.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.441 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.759 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.01 -49.8 54.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.544 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.53 -48.97 84.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.54 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.97 -42.15 78.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.533 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.23 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.69 -47.49 44.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.526 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.24 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.81 -51.5 71.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.361 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.8 -48.01 35.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.513 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.842 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.64 7.02 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.23 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.98 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 0.0 110.484 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.24 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.58 -55.02 27.03 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.456 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.361 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.84 -37.13 47.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.458 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.842 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.3 62.28 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.986 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.07 -42.78 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.577 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.45 -45.33 80.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.539 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.0 mt -54.85 -33.75 62.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.486 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.91 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.78 -44.43 96.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.467 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.001 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.75 -43.4 68.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.542 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.925 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.31 -45.37 47.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.485 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.571 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.83 -42.69 57.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.554 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.91 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.01 -43.89 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.465 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.001 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.95 -42.68 57.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.436 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.925 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.78 -40.63 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.593 -0.73 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.57 -44.78 62.86 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.48 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.789 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.91 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.505 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.08 -46.83 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.5 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.65 -42.79 60.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.463 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.52 -38.37 68.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.789 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.88 -45.07 87.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.483 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.99 -47.84 76.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.982 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.65 -41.17 69.77 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.58 38.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.481 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.54 -54.24 48.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.95 -30.18 67.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.483 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.23 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.33 -52.19 12.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.432 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.35 -42.22 99.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.511 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.769 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.68 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.503 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.23 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.47 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.469 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.64 -32.76 64.05 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.769 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.44 -46.29 80.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.473 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.96 79.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.498 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.908 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.02 99.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.5 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.86 -46.38 75.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.438 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.763 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.98 -49.77 54.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.532 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.7 t -63.57 -48.97 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.484 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.4 t -56.97 -42.22 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.468 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.235 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.65 -47.49 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.562 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.224 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.82 -51.5 71.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.557 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.327 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.72 -48.14 35.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.489 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.62 -52.68 7.08 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.235 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.01 -54.94 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.52 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.224 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.59 -55.05 26.79 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.476 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.327 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.81 -37.09 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.453 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.8 -47.27 61.94 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.973 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.71 87.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.36 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.498 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.1 tp -54.87 -33.77 62.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.954 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.003 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.42 69.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.618 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 1.038 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.23 -45.43 48.14 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.523 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.88 -42.63 57.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.555 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.954 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.88 -44.03 51.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.003 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.91 -42.65 57.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.401 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 1.038 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.84 -40.69 60.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.458 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.648 -0.705 . . . . 0.0 . 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.217 0 CA-C-O 120.927 0.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.89 73.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.465 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.38 -44.84 62.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.527 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.787 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.56 -33.97 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.463 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.87 69.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.507 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -73.68 -42.75 60.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.35 68.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.787 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.92 -45.06 87.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.0 -47.76 76.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.591 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.968 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.79 -41.1 70.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.429 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.62 38.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.502 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.55 -54.22 48.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.483 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.17 67.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.535 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.277 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.38 -52.16 12.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.488 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.29 -42.26 99.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.586 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.749 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.62 -37.89 89.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.579 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.277 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.49 42.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.476 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.15 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.749 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.33 -46.44 80.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.494 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.71 -48.88 79.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.563 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.906 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.49 -43.01 99.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.487 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.661 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.8 -46.39 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.456 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.763 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.78 54.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.576 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.51 -48.97 84.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.551 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -57.06 -42.09 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.207 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.66 -47.51 44.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.534 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.244 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.89 -51.47 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.472 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.257 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.8 -47.99 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.478 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.73 -52.71 6.95 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.207 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.99 -54.95 9.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.939 0.399 . . . . 0.0 110.532 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.244 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.8 m -63.65 -55.02 26.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.462 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.257 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.16 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.46 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.73 -47.23 62.53 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.985 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.03 -42.77 87.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 110.616 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.51 -45.32 81.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.519 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.553 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.88 -33.79 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.396 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.959 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.72 -44.44 96.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.491 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.022 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.47 68.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.582 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 1.051 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.29 -45.35 48.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.496 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.64 57.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.959 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.96 -43.89 51.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.527 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.022 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.97 -42.61 57.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.472 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 1.051 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.78 -40.65 61.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.526 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.604 -0.725 . . . . 0.0 . 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.848 0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.69 73.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.49 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.53 -44.84 62.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.49 -34.04 67.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.85 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.75 60.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.518 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.37 67.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.438 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.87 -45.09 87.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.485 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.0 -47.8 76.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.992 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.71 -41.14 69.93 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.558 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.59 39.01 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.54 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.5 -54.25 48.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.518 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.26 67.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.479 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.288 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.27 -52.19 13.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.491 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.25 -42.33 99.23 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.541 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.773 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.56 -37.92 89.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.596 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.288 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.47 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.513 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -32.8 64.22 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.773 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.33 -46.38 80.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.953 0.406 . . . . 0.0 110.52 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.77 -48.97 79.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.903 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.41 -42.96 99.83 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.85 -46.33 75.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.476 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.756 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.8 ttp -69.02 -49.74 54.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.554 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.56 -49.06 84.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.491 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.83 -42.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.547 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.167 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.65 -47.53 44.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.249 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.83 -51.58 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.501 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.344 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.65 -48.07 36.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.524 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.83 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.66 -52.73 7.0 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.167 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.02 -54.94 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.484 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.249 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.62 -55.01 27.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.46 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.344 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.21 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.484 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.83 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.64 -47.3 62.65 Favored Glycine 0 N--CA 1.461 0.355 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.965 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.14 -42.72 87.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.573 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.53 -45.3 81.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.459 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.561 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.84 -33.84 62.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.464 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.967 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.63 -44.52 96.83 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.505 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.008 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.4 69.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.637 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 1.046 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.3 -45.31 48.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.552 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.96 -42.66 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.48 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.967 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.88 -44.0 51.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.469 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.008 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.92 -42.67 57.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.383 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 1.046 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.81 -40.64 60.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.505 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.603 -0.726 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 120.868 0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.538 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.56 -44.79 62.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.475 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.778 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.54 -34.02 67.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.496 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.88 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.552 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.78 60.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.55 -38.3 68.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.502 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.778 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.97 -45.04 87.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.497 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.05 -47.81 76.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.509 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.981 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.62 -41.16 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.509 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.63 38.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.401 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -56.54 -54.18 48.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.486 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.28 67.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.495 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.263 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.23 -52.24 12.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.478 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.25 99.2 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.506 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.769 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.73 -37.82 88.88 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.585 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.263 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.6 -32.48 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.497 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.79 64.09 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.769 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.26 -46.43 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.522 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.96 79.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.477 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.905 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.32 -43.05 99.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.536 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.36 75.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.458 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.766 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.82 54.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.564 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.44 -49.05 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.531 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 26' ' ' TRP . 67.0 t -56.97 -42.2 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.485 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.214 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.6 -47.51 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.572 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.291 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.93 -51.45 72.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.481 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.325 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.71 -48.09 35.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.507 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.842 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.69 -52.73 6.97 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.214 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.91 -54.98 9.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.562 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.291 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.63 -55.06 26.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.325 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.79 -37.09 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.538 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.842 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.34 62.06 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.978 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.0 -42.73 87.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.895 0.378 . . . . 0.0 110.629 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.5 -45.4 81.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.496 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.8 -33.78 61.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.539 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.942 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.54 96.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.465 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.01 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.42 69.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.553 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 1.076 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.26 -45.37 48.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.9 -42.71 57.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.453 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.942 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.3 m -74.89 -43.96 51.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.496 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.01 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.89 -42.67 57.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.478 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 1.076 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.67 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.428 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.65 -0.704 . . . . 0.0 . -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.212 0 CA-C-O 120.882 0.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.73 -37.68 73.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.477 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.59 -44.8 62.92 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.501 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.788 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.46 -33.98 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.56 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.84 70.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.523 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.7 -42.76 60.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.57 -38.31 67.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.788 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.93 -45.14 87.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.437 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.9 -47.85 76.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.517 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.964 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.7 -41.25 70.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.442 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.46 -48.63 39.37 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.54 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.55 -54.2 48.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.462 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.87 -30.24 67.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.541 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.275 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.29 -52.19 13.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.469 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -42.23 99.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.778 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.74 -37.85 89.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.508 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.275 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.55 -32.61 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 -32.86 64.43 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.778 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.7 m-85 -65.31 -46.4 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.519 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.81 -48.9 79.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.514 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.898 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.04 99.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.537 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.79 -46.35 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.457 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.766 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.04 -49.78 54.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.56 -48.96 84.51 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.527 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.3 t -56.98 -42.16 78.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.542 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.233 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.48 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.557 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.219 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.84 -51.5 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.526 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.339 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.84 -47.91 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.539 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.846 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.61 6.97 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.233 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.02 -54.98 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.492 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.219 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.0 m -63.58 -54.99 27.32 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.494 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.339 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.89 -37.12 47.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.435 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.846 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.29 62.32 Favored Glycine 0 N--CA 1.461 0.335 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.986 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.6 mm -59.05 -42.8 87.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 110.582 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.42 -45.36 80.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.547 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.82 -33.74 61.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.474 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.946 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.481 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.017 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.71 -43.43 68.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.58 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 1.066 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.25 -45.4 48.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.5 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.76 -42.74 57.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.596 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.946 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.2 m -75.01 -43.85 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.464 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.017 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.99 -42.65 57.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.439 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 1.066 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.76 -40.65 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.531 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.61 -0.723 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.78 73.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.526 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.51 -44.81 62.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.498 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.791 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.87 67.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.519 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.81 69.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.64 -42.84 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.471 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.47 -38.37 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.525 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.791 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.94 -45.04 87.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.47 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.01 -47.83 76.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.472 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.961 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.66 -41.14 69.78 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.527 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.56 38.98 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.503 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -56.57 -54.24 48.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.16 67.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.52 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.255 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.38 -52.15 12.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.453 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.37 -42.21 99.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.539 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.766 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.67 -37.89 89.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.498 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.255 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.6 -32.43 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.8 63.92 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.766 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.39 -46.31 80.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.494 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.99 79.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.505 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.902 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.37 -43.01 99.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.49 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.657 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.89 -46.39 75.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.428 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.763 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.96 -49.74 55.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.582 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.61 -48.96 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.472 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -57.01 -42.18 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.442 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.203 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.63 -47.52 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.554 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.239 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.77 -51.47 72.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.617 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.34 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.77 -48.1 35.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.507 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.846 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.61 -52.71 7.06 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.203 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.94 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.532 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.239 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.58 -55.03 26.99 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.481 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.34 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.84 -37.08 47.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.431 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.846 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.79 -47.26 62.06 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.965 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.11 -42.68 87.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.59 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.36 81.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.492 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.85 -33.83 62.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.963 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.64 -44.49 96.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.472 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.019 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.44 69.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.599 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 1.068 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.22 -45.39 48.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.537 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.65 57.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.54 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.963 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.93 -43.98 51.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.47 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.019 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.91 -42.68 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.36 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 1.068 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.86 -40.62 60.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.475 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.625 -0.716 . . . . 0.0 . 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 120.929 0.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.85 73.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.482 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.36 -44.83 62.18 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.556 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.789 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.6 -33.93 67.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.479 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.88 69.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.73 60.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.435 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.54 -38.36 68.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.789 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.91 -45.04 87.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.491 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.03 -47.75 76.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.565 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.971 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.83 -41.03 70.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.455 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.62 -48.62 38.07 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.499 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.48 -54.29 47.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.483 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.11 67.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.29 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.39 -52.14 12.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.492 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.27 99.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.589 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.769 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.1 ttp -64.62 -37.88 89.1 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.586 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.29 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.57 -32.48 42.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.464 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.64 -32.76 64.04 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.769 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.7 m-85 -65.33 -46.42 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.494 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.77 -48.86 79.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.542 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.906 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.79 -46.38 75.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.479 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.759 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.97 -49.8 54.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.567 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.54 -48.93 84.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.556 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.3 t -57.04 -42.13 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.21 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.64 -47.49 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.563 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.241 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.91 -51.45 72.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.486 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.268 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.4 t -74.83 -47.97 35.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.437 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.76 -52.66 6.96 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.21 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.01 -54.95 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 0.0 110.535 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.241 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.8 m -63.67 -55.0 26.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.435 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.268 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.81 -37.18 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.417 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.17 62.88 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.986 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.82 87.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.901 0.381 . . . . 0.0 110.566 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.43 -45.38 80.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.539 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.2 tp -54.88 -33.79 62.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.376 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.958 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.71 -44.43 96.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.488 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.016 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.46 68.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.602 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 1.071 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.31 -45.34 48.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.519 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.89 -42.65 57.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.527 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.958 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.97 -43.91 51.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.499 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.016 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.63 57.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 1.071 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.68 60.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.503 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.615 -0.721 . . . . 0.0 . 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.13 0 CA-C-O 120.813 0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.67 73.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.485 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.52 -44.88 62.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.48 -34.04 67.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.468 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.9 70.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.68 -42.69 60.97 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.542 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.61 -38.35 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.447 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.9 -45.06 87.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.493 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.8 76.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.49 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.986 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.65 -41.14 69.74 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.583 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.57 39.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.563 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -56.55 -54.24 48.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.511 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.28 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.503 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.287 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.0 m -74.28 -52.16 13.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.512 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.24 -42.35 99.24 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.522 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.746 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.53 -37.91 89.19 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.612 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.287 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.6 -32.47 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.519 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.56 -32.78 64.25 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.746 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.32 -46.42 80.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.52 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.94 79.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.897 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.4 -42.98 99.84 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.591 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.83 -46.34 75.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.484 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.764 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.98 -49.77 54.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.58 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.56 -49.04 84.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.512 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.8 -42.27 77.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.559 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.202 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.3 t -73.64 -47.54 44.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.461 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.243 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.82 -51.6 70.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.458 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.331 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.65 -48.08 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.83 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.67 -52.75 6.98 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.202 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.98 -54.94 9.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.243 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.5 m -63.66 -55.04 26.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.331 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.75 -37.22 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.457 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.83 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.65 -47.33 62.44 Favored Glycine 0 N--CA 1.461 0.36 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.967 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.13 -42.68 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.941 0.401 . . . . 0.0 110.61 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.53 -45.3 81.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.431 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.553 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.2 tp -54.89 -33.8 62.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.463 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.957 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.65 -44.51 96.83 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.511 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.015 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.37 69.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.647 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 1.05 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.28 -45.34 48.24 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.55 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.94 -42.65 57.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.472 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.957 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.91 -44.01 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.482 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.015 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.88 -42.67 57.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.401 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 1.05 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.85 -40.62 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.593 -0.73 . . . . 0.0 . 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.852 0.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.67 -37.75 73.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.556 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.51 -44.85 62.69 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.5 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.781 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.49 -34.04 67.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.88 70.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.515 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.79 60.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.56 -38.23 68.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.512 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.781 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 48.4 t -65.02 -45.04 87.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.473 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.07 -47.75 76.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.532 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.986 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.59 -41.21 69.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.541 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.61 38.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.409 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.57 -54.17 49.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.471 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.24 67.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.512 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.243 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.27 -52.24 12.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.468 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.28 -42.23 99.17 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.54 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.775 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.76 -37.76 88.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.243 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.67 -32.39 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.517 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.66 -32.84 63.93 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.775 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.23 -46.43 80.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.537 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.93 79.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.495 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.904 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.36 -43.05 99.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.508 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.652 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.35 75.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.758 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.8 ttp -68.96 -49.85 54.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.566 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.39 -49.02 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.591 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -56.98 -42.26 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.46 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.201 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.58 -47.52 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.284 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.96 -51.42 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.459 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.349 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.71 -48.11 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.478 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.68 -52.71 6.99 Favored Glycine 0 N--CA 1.461 0.322 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.201 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.93 -54.94 9.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.869 0.366 . . . . 0.0 110.592 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.284 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.62 -55.05 26.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.447 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.349 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.08 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.582 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.28 62.12 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.978 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -58.98 -42.76 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.903 0.382 . . . . 0.0 110.646 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.46 -45.38 80.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.54 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.563 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.82 -33.78 62.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.505 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.962 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.57 96.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.464 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.002 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.39 69.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.562 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 1.06 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.3 -45.32 48.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.516 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.94 -42.68 57.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.962 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -43.98 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.477 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.002 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.91 -42.63 57.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.446 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 1.06 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.82 -40.69 60.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.423 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.653 -0.703 . . . . 0.0 . -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.218 0 CA-C-O 120.898 0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.75 -37.68 73.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.58 -44.81 62.91 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.515 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.784 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.47 -34.01 67.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.505 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.0 -46.87 70.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.7 -42.8 60.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.392 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.29 68.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.784 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.94 -45.17 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.86 -47.84 76.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.529 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.972 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.19 70.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.425 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.49 -48.63 39.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.529 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.57 -54.21 48.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.88 -30.22 67.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.532 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.271 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.7 m -74.3 -52.19 13.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.465 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.25 99.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.749 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.1 ttp -64.72 -37.84 88.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.531 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.271 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.59 -32.62 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 -32.85 64.46 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.749 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.34 -46.34 80.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.531 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.87 -48.89 79.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.499 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.91 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.35 -43.08 99.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.528 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.72 -46.39 75.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.487 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.765 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.8 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.6 t -63.49 -49.01 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.565 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.99 -42.12 78.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.53 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.191 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.66 -47.45 44.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.255 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.89 -51.5 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.526 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.312 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.82 -47.92 35.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.54 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.58 6.99 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.191 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.05 -54.95 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.494 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.255 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.56 -55.06 26.79 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.492 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.312 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.83 -37.13 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.446 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.25 62.4 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.988 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.1 -42.77 87.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.895 0.379 . . . . 0.0 110.584 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.718 ' HE2' ' HD2' ' A' ' 44' ' ' LYS . 88.2 tttt -56.43 -45.35 80.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.541 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.85 -33.75 62.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.448 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.924 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.77 -44.41 96.93 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.51 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.011 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.43 68.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.57 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 1.072 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 62.7 mtpt -74.26 -45.41 47.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.458 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.71 -42.79 57.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.573 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.924 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.02 -43.83 51.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.011 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.96 -42.64 57.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.485 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 1.072 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.65 61.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.517 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.624 -0.717 . . . . 0.0 . -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 120.848 0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.7 -37.73 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.53 -44.85 62.74 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.469 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.787 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.89 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.518 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.82 70.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.545 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.67 -42.83 60.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.452 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.48 -38.41 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.519 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.787 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.9 -45.02 87.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.506 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.05 -47.8 76.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.442 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.972 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.12 69.84 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.526 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.55 39.11 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.511 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.63 -54.22 48.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.97 -30.15 67.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.474 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.232 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.8 m -74.41 -52.1 13.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.484 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.38 -42.23 99.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.509 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.68 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.495 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.232 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.42 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.449 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.79 63.93 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 92.0 t80 -65.42 -46.29 80.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.48 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.99 79.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.501 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.909 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -43.0 99.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.494 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.89 -46.4 75.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.572 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.0 -49.74 55.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.539 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.6 -48.93 84.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.504 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -57.04 -42.15 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.48 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.227 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.57 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.534 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.237 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.71 -51.49 72.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.632 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.35 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.78 -48.07 35.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.516 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.842 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.66 -52.64 7.07 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.227 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.03 -54.92 9.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.528 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.237 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.58 -55.06 26.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.466 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.35 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.15 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.394 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.842 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.27 62.23 Favored Glycine 0 N--CA 1.461 0.311 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.991 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.13 -42.68 87.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.876 0.369 . . . . 0.0 110.578 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.44 -45.38 80.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.525 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.9 -33.77 62.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.501 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.963 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.9 m-30 -61.63 -44.54 96.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.469 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.016 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.63 -43.49 69.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.612 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 1.076 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.21 -45.35 48.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.565 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.95 -42.59 57.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.541 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.963 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.98 -43.95 51.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.436 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.016 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.94 -42.69 57.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.365 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 1.076 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.85 -40.64 60.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.432 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.652 -0.704 . . . . 0.0 . -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 120.916 0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.91 73.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.25 -44.9 61.85 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.558 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.79 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.58 -33.92 67.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.468 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.88 69.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.65 -42.76 60.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.464 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.52 -38.35 68.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.554 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.79 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.92 -45.01 87.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.05 -47.75 76.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.537 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.962 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.12 70.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.45 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.62 38.09 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.489 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.46 -54.32 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.1 67.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.567 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.281 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.1 m -74.39 -52.13 13.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.33 -42.29 99.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.564 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.61 -37.87 89.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.586 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.281 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.61 -32.46 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.437 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.6 -32.84 64.09 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.32 -46.37 80.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.83 -48.85 80.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.534 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.909 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.499 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.76 -46.38 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.48 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.562 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.01 -49.75 54.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.545 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.58 -48.93 84.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.554 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.99 -42.15 78.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.212 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.64 -47.48 44.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.575 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.258 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.91 -51.46 72.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.477 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.28 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.85 -47.94 35.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.84 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.78 -52.64 6.95 Favored Glycine 0 N--CA 1.462 0.384 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.212 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.05 -54.95 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.494 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.258 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 96.9 m -63.67 -55.0 26.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.441 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.28 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.25 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.45 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.84 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.69 -47.18 63.06 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.976 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.1 -42.75 87.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.881 0.372 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.34 80.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.563 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.567 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.93 -33.78 62.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.345 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.95 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.69 -44.44 96.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.014 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.42 69.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.614 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 1.076 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.38 -45.33 47.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.84 -42.69 57.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.54 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.95 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.91 -43.97 51.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.477 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.014 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.88 -42.66 57.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.466 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 1.076 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.81 -40.68 60.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.501 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.618 -0.719 . . . . 0.0 . 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.139 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.68 73.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.45 -44.92 62.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.513 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.784 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.52 -33.98 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.483 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.85 70.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.571 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.69 -42.67 60.95 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.55 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.62 -38.36 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.413 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.784 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.89 -45.08 87.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.505 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.78 76.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.482 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.974 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.71 -41.09 69.88 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.58 38.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.56 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.57 -54.23 48.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.481 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.83 -30.3 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.511 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.329 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.0 m -74.28 -52.11 13.28 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.532 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.28 -42.34 99.26 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.52 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.55 -37.88 89.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.63 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.329 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.64 -32.42 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.78 64.18 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.32 -46.42 80.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.406 . . . . 0.0 110.521 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.69 -48.97 79.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.573 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.896 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.4 -42.96 99.83 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.602 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.88 -46.33 75.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.46 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.573 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -68.97 -49.78 54.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.561 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.54 -49.02 84.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.527 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.9 t -56.9 -42.2 78.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.537 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.176 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.65 -47.57 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.437 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.24 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.81 -51.61 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.43 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.327 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.66 -48.1 35.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.469 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.827 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.65 -52.77 6.98 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.176 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.96 -54.89 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.512 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.24 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.72 -55.03 26.43 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.327 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.72 -37.25 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.485 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.827 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.6 -47.32 62.73 Favored Glycine 0 N--CA 1.461 0.344 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.974 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.15 -42.71 87.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 110.588 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.36 80.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.84 -33.79 62.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.508 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.95 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.68 -44.54 96.76 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.493 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.022 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.65 -43.36 69.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.643 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 1.046 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.31 -45.35 48.0 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.554 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.9 -42.67 57.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.487 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.95 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -44.0 51.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.022 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.68 57.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.376 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 1.046 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.83 -40.65 60.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.595 -0.729 . . . . 0.0 . 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.878 0.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.61 -37.83 73.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.532 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.48 -44.85 62.58 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.782 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.48 -34.0 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.569 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -46.87 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.504 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.85 60.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.363 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.54 -38.17 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.543 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.782 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 48.4 t -65.07 -45.06 86.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.426 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.76 76.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.514 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.987 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.58 -41.24 69.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.51 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.6 38.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.404 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.62 -54.15 49.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.44 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.28 67.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.525 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.315 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.27 -52.2 13.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.473 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.21 99.18 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.566 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.76 -37.76 88.7 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.634 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.315 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.7 -32.35 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.539 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.78 63.92 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.26 -46.42 80.59 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.97 0.414 . . . . 0.0 110.526 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.81 -48.92 79.74 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.477 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.884 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.02 99.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.513 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.85 -46.32 75.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.57 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.0 -49.84 54.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.38 -49.06 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.598 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -56.94 -42.29 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.486 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.205 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.52 -47.52 44.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.572 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.267 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.98 -51.41 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.427 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.352 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.7 -48.12 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.496 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.66 7.0 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.205 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.94 -54.98 9.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.895 0.379 . . . . 0.0 110.607 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.267 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.57 -55.07 26.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.44 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.352 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.8 -37.11 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.553 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.67 -47.32 62.34 Favored Glycine 0 C--N 1.331 0.279 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.975 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.2 mm -59.0 -42.73 87.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.878 0.37 . . . . 0.0 110.632 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.49 -45.4 81.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.519 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.77 -33.82 61.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.513 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.969 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.58 96.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 1.007 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.42 69.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.57 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 1.054 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.29 -45.35 48.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.517 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.88 -42.7 57.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.469 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.969 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 100.0 m -74.9 -43.98 51.32 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . 1.007 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.66 57.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.431 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 1.054 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.83 -40.68 60.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.398 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.644 -0.707 . . . . 0.0 . -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.897 0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.84 -37.6 73.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.43 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.62 -44.81 63.03 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.487 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.45 -34.01 67.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.506 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.88 70.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.52 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.72 -42.77 60.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.412 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.27 68.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.586 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.92 -45.17 86.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.441 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.82 -47.86 76.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.564 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.977 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.17 70.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.458 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.47 -48.65 39.15 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.56 -54.24 48.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.21 67.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.557 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.252 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.31 -52.15 13.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.26 99.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.75 -37.8 88.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.252 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.6 -32.66 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.4 -32.85 64.63 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.37 -46.35 80.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.503 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.87 -48.86 79.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.895 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.4 t-105 -62.32 -43.14 99.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.533 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.68 -46.45 75.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.464 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.579 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -68.92 -49.84 54.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.596 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.3 t -63.47 -49.05 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.525 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.96 -42.14 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.516 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.23 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.69 -47.43 44.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.509 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.275 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.88 -51.51 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.529 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.291 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.77 -47.96 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.564 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.849 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.57 7.01 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.23 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.08 -54.9 9.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.49 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 1.275 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.63 -55.02 26.84 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.291 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.85 -37.12 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.446 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.849 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.28 62.2 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.994 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.07 -42.8 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.917 0.389 . . . . 0.0 110.559 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.46 -45.32 80.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.79 -33.79 61.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.467 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.941 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.75 -44.44 96.9 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.535 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.997 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.7 -43.43 69.02 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.612 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 1.051 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.26 -45.36 48.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.489 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.79 -42.74 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.558 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.941 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.09 -43.8 50.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.45 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.997 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.92 -42.67 57.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.495 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 1.051 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.79 -40.69 60.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.482 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 115.658 -0.701 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.886 0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.72 73.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.512 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.57 -44.81 62.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.469 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.791 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.5 -33.97 67.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.524 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.84 69.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.512 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.75 60.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.55 -38.39 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.478 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.791 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.87 -45.08 87.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.03 -47.79 76.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.495 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.983 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.16 69.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.514 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.6 38.85 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.53 -54.23 48.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.48 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.95 -30.16 67.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.3 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.36 -52.19 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.427 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.34 -42.24 99.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.508 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.759 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.66 -37.89 89.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.544 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.3 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.57 -32.5 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.431 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.78 64.1 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.759 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.4 -46.32 80.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.489 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.93 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.506 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.909 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.45 -42.96 99.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.504 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.87 -46.35 75.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.433 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.76 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.01 -49.76 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.525 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.5 t -63.58 -48.98 84.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.492 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -56.96 -42.2 78.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.498 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.207 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.63 -47.5 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.253 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.85 -51.48 72.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.318 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.73 -48.12 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.487 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.849 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.65 -52.67 7.07 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.207 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.97 9.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 110.519 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.253 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.63 -54.99 27.13 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.472 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.318 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.17 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.444 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.849 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.27 62.28 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 110.509 -1.037 . . . . 0.0 110.509 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.977 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.75 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.596 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.37 80.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.484 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.563 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 86.2 mt -54.82 -33.78 62.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.971 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.7 -44.47 96.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.475 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.022 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.71 -43.44 68.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.571 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.912 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.22 -45.41 48.28 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.498 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.88 -42.65 57.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.524 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.971 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -43.98 51.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.504 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.022 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.91 -42.66 57.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.413 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.912 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.84 -40.65 60.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.467 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.634 -0.712 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 120.91 0.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.79 73.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.48 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.45 -44.79 62.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.782 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.6 -33.94 67.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.473 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.87 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.525 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.68 -42.77 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.454 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.52 -38.34 68.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.782 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.97 -45.03 87.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.461 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.04 -47.75 76.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.572 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.969 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.73 -41.16 70.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.462 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.53 -48.63 38.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.56 -54.22 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.458 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.91 -30.2 67.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.331 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.33 -52.18 12.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.773 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.65 -37.88 89.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.574 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.331 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.48 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.497 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.14 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.773 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.33 -46.41 80.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.517 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.74 -48.91 79.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.509 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.892 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.44 -43.03 99.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.513 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.657 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.8 -46.35 75.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.451 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.754 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.03 -49.77 54.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.544 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.54 -48.96 84.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.522 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -57.03 -42.12 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.516 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.177 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.67 -47.54 43.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.531 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.254 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.82 -51.49 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.494 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.258 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.8 -47.99 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.488 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.84 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.7 -52.7 6.98 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.177 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.99 -54.95 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 110.522 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.254 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.68 -54.99 26.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.43 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.258 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.75 -37.22 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.469 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.84 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.23 62.67 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.981 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.1 -42.74 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.899 0.381 . . . . 0.0 110.589 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.34 80.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.537 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.2 mt -54.87 -33.75 62.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.454 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.943 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.74 -44.48 96.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.47 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.003 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.44 69.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.592 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.91 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.29 -45.35 48.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.513 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.63 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.539 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.943 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.98 -43.91 51.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.482 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.003 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.95 -42.63 57.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.438 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.91 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.8 -40.67 60.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.51 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.617 -0.719 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.875 0.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.77 73.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.497 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.49 -44.79 62.61 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.78 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.53 -34.03 67.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.479 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.94 -46.86 70.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.572 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.67 -42.77 60.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.47 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.34 67.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.463 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.78 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.9 -45.09 87.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.462 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.98 -47.8 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.528 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.993 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.71 -41.16 69.98 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.523 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.57 39.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.692 ' O ' ' HG2' ' A' ' 21' ' ' MET . 74.8 m -56.51 -54.25 48.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.491 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.88 -30.25 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.483 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.296 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.33 -52.15 13.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.491 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -42.3 99.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.501 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.78 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 98.2 mmm -64.59 -37.91 89.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.576 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.296 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.46 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.15 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.78 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.32 -46.4 80.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.509 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.74 -48.97 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.531 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.888 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -42.99 99.85 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.34 75.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.449 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.765 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.03 -49.77 54.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.521 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.55 -49.01 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.501 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.91 -42.2 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.549 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.216 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.63 -47.57 44.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.504 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.229 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.79 -51.56 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.506 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.356 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.71 -48.02 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.504 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.826 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.69 -52.73 6.98 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.216 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.97 -54.96 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.503 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.229 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.63 -54.99 27.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.474 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.356 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.82 -37.18 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.46 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.826 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.68 -47.27 62.57 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.981 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.3 mm -59.11 -42.77 87.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.915 0.388 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.34 80.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.497 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 86.4 mt -54.87 -33.76 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.966 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.7 -44.49 96.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.473 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.016 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.7 -43.4 69.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.612 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.9 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.25 -45.38 48.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.553 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.91 -42.65 57.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.503 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.966 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 100.0 m -74.93 -43.96 51.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.474 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.016 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.93 -42.65 57.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.402 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.9 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.81 -40.64 60.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.504 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 120.915 0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.69 -37.74 73.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.55 -44.78 62.81 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.497 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.786 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.52 -34.01 67.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.511 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -46.86 70.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.554 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.69 -42.78 60.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.56 -38.3 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.477 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.786 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.97 -45.04 87.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.477 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.03 -47.82 76.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.967 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.63 -41.17 69.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.521 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.61 38.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.438 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.689 ' O ' ' HG2' ' A' ' 21' ' ' MET . 74.7 m -56.53 -54.21 48.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.472 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.91 -30.28 67.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.489 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.23 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.23 -52.2 13.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.527 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.33 -42.26 99.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.497 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.774 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 98.2 mmm -64.71 -37.81 88.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.566 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.23 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.65 -32.45 42.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.65 -32.74 64.05 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.774 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.3 -46.45 80.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.491 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.93 79.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.508 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.908 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.34 -43.03 99.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.535 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.88 -46.29 75.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.467 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.766 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.06 -49.78 54.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.5 -49.02 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.517 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.94 -42.19 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.516 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.236 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.52 44.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.537 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.284 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.88 -51.5 71.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.495 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.298 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.7 -48.07 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.512 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.84 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.7 6.97 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.236 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.9 -55.01 9.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.528 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.284 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.64 -55.01 26.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.388 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.298 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.83 -37.11 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.502 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.84 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.7 -47.32 62.19 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.995 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.6 mm -59.03 -42.76 87.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 110.603 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.44 -45.41 80.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.499 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.1 mt -54.82 -33.75 61.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.969 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.73 -44.46 96.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.448 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.012 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.41 69.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.577 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.93 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.29 -45.34 48.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.524 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.93 -42.65 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.483 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.969 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.95 -43.93 51.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.482 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.012 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.92 -42.64 57.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.467 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.93 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.79 -40.69 61.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.464 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 . -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.195 0 CA-C-O 120.888 0.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.72 -37.71 73.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.501 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.54 -44.79 62.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.78 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.54 -33.97 67.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.01 -46.87 70.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.68 -42.76 60.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.427 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.28 67.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.78 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.95 -45.08 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.98 -47.8 76.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.534 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.984 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.21 69.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.472 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.51 -48.63 38.98 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.517 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.54 -54.19 48.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.468 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.23 67.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.518 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.259 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.2 m -74.25 -52.19 13.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.49 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.34 -42.26 99.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.768 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.71 -37.83 88.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.537 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.259 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.55 -32.56 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.484 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -32.77 64.24 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.768 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.36 -46.4 80.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.5 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.92 79.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.497 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.91 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -43.05 99.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.51 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.78 -46.38 75.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.441 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.759 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.01 -49.8 54.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.544 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.53 -48.97 84.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.54 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.97 -42.15 78.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.533 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.23 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.69 -47.49 44.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.526 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.24 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.81 -51.5 71.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.361 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.8 -48.01 35.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.513 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.842 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.64 7.02 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.23 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.98 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 0.0 110.484 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.24 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.58 -55.02 27.03 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.456 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.361 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.84 -37.13 47.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.458 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.842 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.3 62.28 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.986 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.07 -42.78 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.577 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.45 -45.33 80.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.539 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.0 mt -54.85 -33.75 62.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.486 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.91 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.78 -44.43 96.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.467 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.001 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.75 -43.4 68.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.542 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.925 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.31 -45.37 47.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.485 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.571 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.83 -42.69 57.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.554 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.91 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.01 -43.89 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.465 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.001 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.95 -42.68 57.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.436 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.925 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.78 -40.63 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.593 -0.73 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.57 -44.78 62.86 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.48 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.789 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.91 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.505 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.08 -46.83 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.5 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.65 -42.79 60.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.463 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.52 -38.37 68.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.789 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.88 -45.07 87.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.483 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.99 -47.84 76.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.982 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.65 -41.17 69.77 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.58 38.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.481 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.54 -54.24 48.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.95 -30.18 67.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.483 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.23 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.33 -52.19 12.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.432 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.35 -42.22 99.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.511 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.769 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.68 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.503 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.23 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.47 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.469 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.64 -32.76 64.05 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.769 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.44 -46.29 80.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.473 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.96 79.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.498 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.908 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.02 99.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.5 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.86 -46.38 75.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.438 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.763 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.98 -49.77 54.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.532 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.7 t -63.57 -48.97 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.484 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.4 t -56.97 -42.22 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.468 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.235 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.65 -47.49 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.562 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.224 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.82 -51.5 71.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.557 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.327 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.72 -48.14 35.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.489 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.62 -52.68 7.08 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.235 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.01 -54.94 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.52 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.224 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.59 -55.05 26.79 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.476 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.327 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.81 -37.09 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.453 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.8 -47.27 61.94 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.973 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.71 87.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.36 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.498 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.1 tp -54.87 -33.77 62.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.954 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.003 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.42 69.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.618 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.038 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.23 -45.43 48.14 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.523 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.88 -42.63 57.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.555 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.954 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.88 -44.03 51.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.003 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.91 -42.65 57.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.401 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.038 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.84 -40.69 60.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.458 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.648 -0.705 . . . . 0.0 . 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.217 0 CA-C-O 120.927 0.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.89 73.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.465 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.38 -44.84 62.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.527 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.787 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.56 -33.97 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.463 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.87 69.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.507 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -73.68 -42.75 60.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.35 68.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.787 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.92 -45.06 87.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.0 -47.76 76.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.591 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.968 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.79 -41.1 70.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.429 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.62 38.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.502 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.55 -54.22 48.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.483 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.17 67.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.535 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.277 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.38 -52.16 12.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.488 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.29 -42.26 99.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.586 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.749 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.62 -37.89 89.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.579 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.277 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.49 42.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.476 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.15 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.749 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.33 -46.44 80.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.494 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.71 -48.88 79.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.563 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.906 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.49 -43.01 99.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.487 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.661 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.8 -46.39 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.456 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.763 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.78 54.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.576 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.51 -48.97 84.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.551 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -57.06 -42.09 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.207 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.66 -47.51 44.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.534 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.244 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.89 -51.47 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.472 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.257 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.8 -47.99 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.478 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.73 -52.71 6.95 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.207 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.99 -54.95 9.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.939 0.399 . . . . 0.0 110.532 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.244 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.8 m -63.65 -55.02 26.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.462 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.257 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.16 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.46 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.73 -47.23 62.53 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.985 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.03 -42.77 87.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 110.616 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.51 -45.32 81.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.519 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.553 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.88 -33.79 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.396 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.959 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.72 -44.44 96.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.491 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.022 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.47 68.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.582 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.051 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.29 -45.35 48.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.496 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.64 57.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.959 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.96 -43.89 51.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.527 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.022 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.97 -42.61 57.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.472 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.051 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.78 -40.65 61.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.526 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.604 -0.725 . . . . 0.0 . 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.848 0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.69 73.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.49 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.53 -44.84 62.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.49 -34.04 67.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.85 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.75 60.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.518 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.37 67.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.438 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.87 -45.09 87.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.485 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.0 -47.8 76.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.992 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.71 -41.14 69.93 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.558 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.59 39.01 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.54 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.5 -54.25 48.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.518 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.26 67.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.479 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.288 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.27 -52.19 13.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.491 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.25 -42.33 99.23 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.541 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.773 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.56 -37.92 89.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.596 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.288 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.47 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.513 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -32.8 64.22 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.773 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.33 -46.38 80.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.953 0.406 . . . . 0.0 110.52 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.77 -48.97 79.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.903 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.41 -42.96 99.83 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.85 -46.33 75.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.476 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.756 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.8 ttp -69.02 -49.74 54.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.554 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.56 -49.06 84.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.491 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.83 -42.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.547 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.167 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.65 -47.53 44.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.249 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.83 -51.58 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.501 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.344 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.65 -48.07 36.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.524 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.83 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.66 -52.73 7.0 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.167 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.02 -54.94 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.484 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.249 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.62 -55.01 27.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.46 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.344 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.21 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.484 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.83 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.64 -47.3 62.65 Favored Glycine 0 N--CA 1.461 0.355 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.965 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.14 -42.72 87.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.573 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.53 -45.3 81.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.459 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.561 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.84 -33.84 62.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.464 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.967 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.63 -44.52 96.83 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.505 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.008 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.4 69.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.637 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.046 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.3 -45.31 48.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.552 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.96 -42.66 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.48 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.967 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.88 -44.0 51.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.469 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.008 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.92 -42.67 57.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.383 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.046 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.81 -40.64 60.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.505 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.603 -0.726 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 120.868 0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.538 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.56 -44.79 62.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.475 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.778 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.54 -34.02 67.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.496 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.88 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.552 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.78 60.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.55 -38.3 68.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.502 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.778 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.97 -45.04 87.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.497 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.05 -47.81 76.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.509 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.981 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.62 -41.16 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.509 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.63 38.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.401 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -56.54 -54.18 48.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.486 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.28 67.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.495 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.263 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.23 -52.24 12.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.478 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.25 99.2 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.506 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.769 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.73 -37.82 88.88 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.585 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.263 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.6 -32.48 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.497 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.79 64.09 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.769 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.26 -46.43 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.522 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.96 79.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.477 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.905 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.32 -43.05 99.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.536 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.36 75.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.458 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.766 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.82 54.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.564 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.44 -49.05 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.531 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 26' ' ' TRP . 67.0 t -56.97 -42.2 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.485 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.214 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.6 -47.51 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.572 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.291 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.93 -51.45 72.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.481 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.325 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.71 -48.09 35.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.507 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.842 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.69 -52.73 6.97 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.214 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.91 -54.98 9.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.562 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.291 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.63 -55.06 26.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.325 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.79 -37.09 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.538 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.842 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.34 62.06 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.978 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.0 -42.73 87.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.895 0.378 . . . . 0.0 110.629 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.5 -45.4 81.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.496 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.8 -33.78 61.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.539 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.942 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.54 96.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.465 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.01 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.42 69.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.553 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.076 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.26 -45.37 48.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.9 -42.71 57.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.453 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.942 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.3 m -74.89 -43.96 51.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.496 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.01 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.89 -42.67 57.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.478 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.076 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.67 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.428 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.65 -0.704 . . . . 0.0 . -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.212 0 CA-C-O 120.882 0.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.73 -37.68 73.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.477 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.59 -44.8 62.92 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.501 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.788 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.46 -33.98 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.56 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.84 70.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.523 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.7 -42.76 60.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.57 -38.31 67.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.788 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.93 -45.14 87.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.437 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.9 -47.85 76.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.517 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.964 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.7 -41.25 70.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.442 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.46 -48.63 39.37 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.54 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.55 -54.2 48.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.462 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.87 -30.24 67.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.541 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.275 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.29 -52.19 13.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.469 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -42.23 99.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.778 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.74 -37.85 89.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.508 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.275 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.55 -32.61 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 -32.86 64.43 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.778 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.7 m-85 -65.31 -46.4 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.519 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.81 -48.9 79.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.514 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.898 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.04 99.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.537 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.79 -46.35 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.457 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.766 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.04 -49.78 54.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.56 -48.96 84.51 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.527 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.3 t -56.98 -42.16 78.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.542 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.233 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.48 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.557 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.219 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.84 -51.5 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.526 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.339 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.84 -47.91 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.539 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.846 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.61 6.97 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.233 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.02 -54.98 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.492 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.219 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.0 m -63.58 -54.99 27.32 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.494 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.339 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.89 -37.12 47.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.435 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.846 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.29 62.32 Favored Glycine 0 N--CA 1.461 0.335 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.986 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.6 mm -59.05 -42.8 87.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 110.582 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.42 -45.36 80.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.547 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.82 -33.74 61.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.474 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.946 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.481 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.017 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.71 -43.43 68.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.58 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.066 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.25 -45.4 48.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.5 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.76 -42.74 57.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.596 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.946 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.2 m -75.01 -43.85 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.464 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.017 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.99 -42.65 57.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.439 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.066 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.76 -40.65 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.531 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.61 -0.723 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.78 73.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.526 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.51 -44.81 62.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.498 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.791 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.87 67.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.519 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.81 69.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.64 -42.84 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.471 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.47 -38.37 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.525 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.791 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.94 -45.04 87.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.47 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.01 -47.83 76.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.472 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.961 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.66 -41.14 69.78 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.527 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.56 38.98 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.503 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -56.57 -54.24 48.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.16 67.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.52 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.255 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.38 -52.15 12.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.453 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.37 -42.21 99.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.539 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.766 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.67 -37.89 89.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.498 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.255 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.6 -32.43 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.8 63.92 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.766 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.39 -46.31 80.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.494 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.99 79.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.505 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.902 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.37 -43.01 99.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.49 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.657 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.89 -46.39 75.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.428 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.763 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.96 -49.74 55.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.582 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.61 -48.96 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.472 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -57.01 -42.18 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.442 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.203 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.63 -47.52 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.554 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.239 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.77 -51.47 72.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.617 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.34 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.77 -48.1 35.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.507 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.846 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.61 -52.71 7.06 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.203 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.94 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.532 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.239 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.58 -55.03 26.99 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.481 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.34 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.84 -37.08 47.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.431 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.846 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.79 -47.26 62.06 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.965 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.11 -42.68 87.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.59 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.36 81.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.492 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.85 -33.83 62.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.963 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.64 -44.49 96.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.472 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.019 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.44 69.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.599 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.068 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.22 -45.39 48.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.537 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.65 57.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.54 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.963 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.93 -43.98 51.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.47 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.019 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.91 -42.68 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.36 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.068 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.86 -40.62 60.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.475 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.625 -0.716 . . . . 0.0 . 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 120.929 0.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.85 73.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.482 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.36 -44.83 62.18 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.556 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.789 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.6 -33.93 67.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.479 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.88 69.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.73 60.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.435 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.54 -38.36 68.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.789 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.91 -45.04 87.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.491 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.03 -47.75 76.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.565 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.971 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.83 -41.03 70.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.455 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.62 -48.62 38.07 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.499 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.48 -54.29 47.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.483 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.11 67.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.29 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.39 -52.14 12.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.492 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.27 99.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.589 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.769 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.1 ttp -64.62 -37.88 89.1 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.586 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.29 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.57 -32.48 42.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.464 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.64 -32.76 64.04 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.769 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.7 m-85 -65.33 -46.42 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.494 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.77 -48.86 79.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.542 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.906 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.79 -46.38 75.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.479 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.759 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.97 -49.8 54.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.567 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.54 -48.93 84.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.556 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.3 t -57.04 -42.13 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.21 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.64 -47.49 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.563 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.241 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.91 -51.45 72.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.486 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.268 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.4 t -74.83 -47.97 35.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.437 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.76 -52.66 6.96 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.21 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.01 -54.95 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 0.0 110.535 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.241 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.8 m -63.67 -55.0 26.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.435 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.268 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.81 -37.18 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.417 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.17 62.88 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.986 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.82 87.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.901 0.381 . . . . 0.0 110.566 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.43 -45.38 80.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.539 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.2 tp -54.88 -33.79 62.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.376 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.958 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.71 -44.43 96.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.488 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.016 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.46 68.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.602 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.071 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.31 -45.34 48.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.519 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.89 -42.65 57.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.527 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.958 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.97 -43.91 51.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.499 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.016 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.63 57.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.071 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.68 60.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.503 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.615 -0.721 . . . . 0.0 . 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.13 0 CA-C-O 120.813 0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.67 73.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.485 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.52 -44.88 62.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.48 -34.04 67.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.468 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.9 70.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.68 -42.69 60.97 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.542 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.61 -38.35 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.447 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.9 -45.06 87.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.493 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.8 76.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.49 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.986 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.65 -41.14 69.74 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.583 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.57 39.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.563 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -56.55 -54.24 48.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.511 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.28 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.503 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.287 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.0 m -74.28 -52.16 13.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.512 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.24 -42.35 99.24 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.522 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.746 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.53 -37.91 89.19 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.612 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.287 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.6 -32.47 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.519 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.56 -32.78 64.25 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.746 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.32 -46.42 80.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.52 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.94 79.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.897 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.4 -42.98 99.84 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.591 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.83 -46.34 75.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.484 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.764 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.98 -49.77 54.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.58 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.56 -49.04 84.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.512 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.8 -42.27 77.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.559 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.202 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.3 t -73.64 -47.54 44.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.461 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.243 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.82 -51.6 70.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.458 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.331 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.65 -48.08 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.83 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.67 -52.75 6.98 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.202 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.98 -54.94 9.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.243 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.5 m -63.66 -55.04 26.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.331 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.75 -37.22 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.457 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.83 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.65 -47.33 62.44 Favored Glycine 0 N--CA 1.461 0.36 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.967 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.13 -42.68 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.941 0.401 . . . . 0.0 110.61 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.53 -45.3 81.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.431 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.553 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.2 tp -54.89 -33.8 62.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.463 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.957 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.65 -44.51 96.83 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.511 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.015 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.37 69.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.647 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.05 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.28 -45.34 48.24 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.55 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.94 -42.65 57.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.472 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.957 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.91 -44.01 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.482 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.015 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.88 -42.67 57.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.401 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.05 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.85 -40.62 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.593 -0.73 . . . . 0.0 . 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.852 0.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.67 -37.75 73.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.556 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.51 -44.85 62.69 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.5 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.781 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.49 -34.04 67.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.88 70.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.515 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.79 60.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.56 -38.23 68.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.512 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.781 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 48.4 t -65.02 -45.04 87.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.473 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.07 -47.75 76.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.532 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.986 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.59 -41.21 69.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.541 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.61 38.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.409 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.57 -54.17 49.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.471 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.24 67.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.512 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.243 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.27 -52.24 12.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.468 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.28 -42.23 99.17 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.54 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.775 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.76 -37.76 88.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.243 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.67 -32.39 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.517 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.66 -32.84 63.93 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.775 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.23 -46.43 80.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.537 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.93 79.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.495 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.904 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.36 -43.05 99.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.508 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.652 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.35 75.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.758 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.8 ttp -68.96 -49.85 54.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.566 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.39 -49.02 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.591 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -56.98 -42.26 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.46 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.201 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.58 -47.52 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.284 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.96 -51.42 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.459 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.349 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.71 -48.11 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.478 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.68 -52.71 6.99 Favored Glycine 0 N--CA 1.461 0.322 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.201 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.93 -54.94 9.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.869 0.366 . . . . 0.0 110.592 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.284 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.62 -55.05 26.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.447 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.349 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.08 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.582 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.28 62.12 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.978 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -58.98 -42.76 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.903 0.382 . . . . 0.0 110.646 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.46 -45.38 80.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.54 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.563 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.82 -33.78 62.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.505 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.962 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.57 96.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.464 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.002 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.39 69.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.562 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.06 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.3 -45.32 48.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.516 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.94 -42.68 57.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.962 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -43.98 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.477 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.002 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.91 -42.63 57.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.446 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.06 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.82 -40.69 60.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.423 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.653 -0.703 . . . . 0.0 . -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.218 0 CA-C-O 120.898 0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.75 -37.68 73.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.58 -44.81 62.91 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.515 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.784 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.47 -34.01 67.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.505 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.0 -46.87 70.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.7 -42.8 60.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.392 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.29 68.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.784 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.94 -45.17 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.86 -47.84 76.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.529 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.972 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.19 70.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.425 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.49 -48.63 39.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.529 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.57 -54.21 48.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.88 -30.22 67.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.532 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.271 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.7 m -74.3 -52.19 13.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.465 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.25 99.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.749 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.1 ttp -64.72 -37.84 88.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.531 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.271 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.59 -32.62 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 -32.85 64.46 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.749 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.34 -46.34 80.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.531 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.87 -48.89 79.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.499 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.91 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.35 -43.08 99.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.528 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.72 -46.39 75.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.487 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.765 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.8 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.6 t -63.49 -49.01 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.565 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.99 -42.12 78.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.53 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.191 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.66 -47.45 44.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.255 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.89 -51.5 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.526 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.312 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.82 -47.92 35.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.54 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.58 6.99 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.191 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.05 -54.95 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.494 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.255 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.56 -55.06 26.79 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.492 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.312 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.83 -37.13 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.446 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.25 62.4 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.988 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.1 -42.77 87.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.895 0.379 . . . . 0.0 110.584 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.718 ' HE2' ' HD2' ' A' ' 44' ' ' LYS . 88.2 tttt -56.43 -45.35 80.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.541 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.85 -33.75 62.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.448 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.924 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.77 -44.41 96.93 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.51 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.011 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.43 68.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.57 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.072 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 62.7 mtpt -74.26 -45.41 47.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.458 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.71 -42.79 57.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.573 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.924 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.02 -43.83 51.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.011 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.96 -42.64 57.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.485 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.072 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.65 61.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.517 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.624 -0.717 . . . . 0.0 . -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 120.848 0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.7 -37.73 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.53 -44.85 62.74 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.469 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.787 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.89 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.518 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.82 70.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.545 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.67 -42.83 60.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.452 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.48 -38.41 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.519 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.787 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.9 -45.02 87.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.506 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.05 -47.8 76.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.442 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.972 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.12 69.84 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.526 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.55 39.11 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.511 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.63 -54.22 48.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.97 -30.15 67.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.474 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.232 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.8 m -74.41 -52.1 13.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.484 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.38 -42.23 99.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.509 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.68 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.495 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.232 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.42 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.449 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.79 63.93 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 92.0 t80 -65.42 -46.29 80.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.48 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.99 79.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.501 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.909 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -43.0 99.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.494 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.89 -46.4 75.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.572 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.0 -49.74 55.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.539 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.6 -48.93 84.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.504 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -57.04 -42.15 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.48 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.227 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.57 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.534 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.237 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.71 -51.49 72.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.632 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.35 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.78 -48.07 35.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.516 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.842 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.66 -52.64 7.07 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.227 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.03 -54.92 9.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.528 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.237 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.58 -55.06 26.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.466 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.35 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.15 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.394 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.842 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.27 62.23 Favored Glycine 0 N--CA 1.461 0.311 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.991 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.13 -42.68 87.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.876 0.369 . . . . 0.0 110.578 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.44 -45.38 80.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.525 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.9 -33.77 62.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.501 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.963 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.9 m-30 -61.63 -44.54 96.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.469 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.016 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.63 -43.49 69.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.612 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.076 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.21 -45.35 48.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.565 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.95 -42.59 57.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.541 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.963 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.98 -43.95 51.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.436 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.016 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.94 -42.69 57.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.365 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.076 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.85 -40.64 60.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.432 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.652 -0.704 . . . . 0.0 . -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 120.916 0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.91 73.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.25 -44.9 61.85 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.558 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.79 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.58 -33.92 67.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.468 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.88 69.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.65 -42.76 60.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.464 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.52 -38.35 68.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.554 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.79 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.92 -45.01 87.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.05 -47.75 76.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.537 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.962 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.12 70.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.45 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.62 38.09 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.489 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.46 -54.32 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.1 67.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.567 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.281 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.1 m -74.39 -52.13 13.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.33 -42.29 99.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.564 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.61 -37.87 89.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.586 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.281 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.61 -32.46 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.437 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.6 -32.84 64.09 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.32 -46.37 80.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.83 -48.85 80.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.534 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.909 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.499 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.76 -46.38 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.48 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.562 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.01 -49.75 54.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.545 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.58 -48.93 84.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.554 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.99 -42.15 78.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.212 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.64 -47.48 44.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.575 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.258 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.91 -51.46 72.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.477 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.28 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.85 -47.94 35.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.84 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.78 -52.64 6.95 Favored Glycine 0 N--CA 1.462 0.384 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.212 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.05 -54.95 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.494 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.258 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 96.9 m -63.67 -55.0 26.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.441 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.28 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.25 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.45 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.84 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.69 -47.18 63.06 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.976 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.1 -42.75 87.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.881 0.372 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.34 80.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.563 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.567 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.93 -33.78 62.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.345 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.95 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.69 -44.44 96.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.014 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.42 69.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.614 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.076 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.38 -45.33 47.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.84 -42.69 57.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.54 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.95 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.91 -43.97 51.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.477 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.014 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.88 -42.66 57.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.466 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.076 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.81 -40.68 60.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.501 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.618 -0.719 . . . . 0.0 . 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.139 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.68 73.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.45 -44.92 62.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.513 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.784 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.52 -33.98 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.483 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.85 70.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.571 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.69 -42.67 60.95 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.55 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.62 -38.36 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.413 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.784 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.89 -45.08 87.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.505 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.78 76.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.482 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.974 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.71 -41.09 69.88 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.58 38.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.56 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.57 -54.23 48.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.481 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.83 -30.3 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.511 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.329 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.0 m -74.28 -52.11 13.28 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.532 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.28 -42.34 99.26 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.52 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.55 -37.88 89.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.63 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.329 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.64 -32.42 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.78 64.18 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.32 -46.42 80.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.406 . . . . 0.0 110.521 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.69 -48.97 79.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.573 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.896 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.4 -42.96 99.83 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.602 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.88 -46.33 75.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.46 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.573 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -68.97 -49.78 54.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.561 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.54 -49.02 84.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.527 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.9 t -56.9 -42.2 78.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.537 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.176 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.65 -47.57 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.437 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.24 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.81 -51.61 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.43 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.327 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.66 -48.1 35.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.469 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.827 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.65 -52.77 6.98 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.176 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.96 -54.89 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.512 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.24 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.72 -55.03 26.43 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.327 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.72 -37.25 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.485 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.827 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.6 -47.32 62.73 Favored Glycine 0 N--CA 1.461 0.344 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.974 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.15 -42.71 87.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 110.588 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.36 80.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.84 -33.79 62.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.508 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.95 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.68 -44.54 96.76 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.493 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.022 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.65 -43.36 69.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.643 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.046 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.31 -45.35 48.0 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.554 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.9 -42.67 57.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.487 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.95 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -44.0 51.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.022 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.68 57.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.376 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.046 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.83 -40.65 60.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.595 -0.729 . . . . 0.0 . 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.878 0.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.61 -37.83 73.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.532 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.48 -44.85 62.58 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.782 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.48 -34.0 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.569 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -46.87 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.504 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.85 60.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.363 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.54 -38.17 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.543 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.782 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 48.4 t -65.07 -45.06 86.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.426 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.76 76.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.514 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.987 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.58 -41.24 69.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.51 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.6 38.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.404 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.62 -54.15 49.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.44 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.28 67.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.525 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.315 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.27 -52.2 13.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.473 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.21 99.18 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.566 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.76 -37.76 88.7 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.634 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.315 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.7 -32.35 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.539 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.78 63.92 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.26 -46.42 80.59 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.97 0.414 . . . . 0.0 110.526 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.81 -48.92 79.74 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.477 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.884 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.02 99.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.513 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.85 -46.32 75.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.57 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.0 -49.84 54.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.38 -49.06 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.598 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -56.94 -42.29 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.486 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.205 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.52 -47.52 44.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.572 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.267 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.98 -51.41 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.427 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.352 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.7 -48.12 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.496 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.66 7.0 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.205 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.94 -54.98 9.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.895 0.379 . . . . 0.0 110.607 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.267 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.57 -55.07 26.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.44 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.352 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.8 -37.11 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.553 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.67 -47.32 62.34 Favored Glycine 0 C--N 1.331 0.279 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.975 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.2 mm -59.0 -42.73 87.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.878 0.37 . . . . 0.0 110.632 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.49 -45.4 81.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.519 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.77 -33.82 61.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.513 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.969 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.58 96.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 1.007 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.42 69.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.57 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.054 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.29 -45.35 48.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.517 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.88 -42.7 57.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.469 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.969 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 100.0 m -74.9 -43.98 51.32 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . 1.007 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.66 57.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.431 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.054 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.83 -40.68 60.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.398 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.644 -0.707 . . . . 0.0 . -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.897 0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.84 -37.6 73.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.43 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.62 -44.81 63.03 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.487 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.45 -34.01 67.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.506 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.88 70.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.52 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.72 -42.77 60.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.412 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.27 68.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.586 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.92 -45.17 86.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.441 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.82 -47.86 76.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.564 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.977 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.17 70.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.458 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.47 -48.65 39.15 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.56 -54.24 48.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.21 67.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.557 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.252 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.31 -52.15 13.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.26 99.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.75 -37.8 88.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.252 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.6 -32.66 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.4 -32.85 64.63 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.37 -46.35 80.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.503 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.87 -48.86 79.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.895 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.4 t-105 -62.32 -43.14 99.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.533 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.68 -46.45 75.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.464 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.579 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -68.92 -49.84 54.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.596 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.3 t -63.47 -49.05 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.525 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.96 -42.14 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.516 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.23 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.69 -47.43 44.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.509 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.275 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.88 -51.51 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.529 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.291 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.77 -47.96 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.564 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.849 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.57 7.01 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.23 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.08 -54.9 9.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.49 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 1.275 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.63 -55.02 26.84 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.291 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.85 -37.12 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.446 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.849 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.28 62.2 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.994 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.07 -42.8 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.917 0.389 . . . . 0.0 110.559 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.46 -45.32 80.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.79 -33.79 61.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.467 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.941 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.75 -44.44 96.9 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.535 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.997 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.7 -43.43 69.02 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.612 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.051 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.26 -45.36 48.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.489 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.79 -42.74 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.558 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.941 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.09 -43.8 50.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.45 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.997 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.92 -42.67 57.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.495 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.051 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.79 -40.69 60.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.482 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 115.658 -0.701 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.886 0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.72 73.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.512 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.57 -44.81 62.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.469 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.791 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.5 -33.97 67.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.524 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.84 69.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.512 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.75 60.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.55 -38.39 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.478 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.791 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.87 -45.08 87.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.03 -47.79 76.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.495 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.983 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.16 69.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.514 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.6 38.85 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.53 -54.23 48.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.48 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.95 -30.16 67.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.3 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.36 -52.19 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.427 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.34 -42.24 99.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.508 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.759 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.66 -37.89 89.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.544 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.3 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.57 -32.5 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.431 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.78 64.1 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.759 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.4 -46.32 80.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.489 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.93 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.506 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.909 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.45 -42.96 99.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.504 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.87 -46.35 75.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.433 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.76 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.01 -49.76 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.525 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.5 t -63.58 -48.98 84.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.492 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -56.96 -42.2 78.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.498 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.207 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.63 -47.5 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.253 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.85 -51.48 72.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.318 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.73 -48.12 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.487 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.849 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.65 -52.67 7.07 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.207 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.97 9.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 110.519 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.253 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.63 -54.99 27.13 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.472 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.318 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.17 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.444 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.849 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.27 62.28 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 110.509 -1.037 . . . . 0.0 110.509 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.977 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.75 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.596 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.37 80.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.484 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.563 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 86.2 mt -54.82 -33.78 62.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.971 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.7 -44.47 96.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.475 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.022 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.71 -43.44 68.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.571 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.912 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.22 -45.41 48.28 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.498 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.88 -42.65 57.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.524 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.971 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -43.98 51.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.504 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.022 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.91 -42.66 57.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.413 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.912 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.84 -40.65 60.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.467 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.634 -0.712 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 120.91 0.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.79 73.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.48 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.45 -44.79 62.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.782 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.6 -33.94 67.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.473 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.87 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.525 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.68 -42.77 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.454 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.52 -38.34 68.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.782 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.97 -45.03 87.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.461 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.04 -47.75 76.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.572 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.969 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.73 -41.16 70.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.462 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.53 -48.63 38.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.56 -54.22 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.458 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.91 -30.2 67.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.331 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.33 -52.18 12.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.773 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.65 -37.88 89.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.574 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.331 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.48 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.497 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.14 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.773 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.33 -46.41 80.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.517 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.74 -48.91 79.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.509 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.892 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.44 -43.03 99.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.513 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.657 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.8 -46.35 75.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.451 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.754 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.03 -49.77 54.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.544 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.54 -48.96 84.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.522 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -57.03 -42.12 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.516 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.177 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.67 -47.54 43.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.531 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.254 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.82 -51.49 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.494 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.258 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.8 -47.99 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.488 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.84 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.7 -52.7 6.98 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.177 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.99 -54.95 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 110.522 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.254 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.68 -54.99 26.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.43 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.258 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.75 -37.22 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.469 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.84 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.23 62.67 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.981 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.1 -42.74 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.899 0.381 . . . . 0.0 110.589 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.34 80.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.537 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.2 mt -54.87 -33.75 62.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.454 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.943 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.74 -44.48 96.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.47 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.003 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.44 69.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.592 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.91 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.29 -45.35 48.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.513 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.63 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.539 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.943 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.98 -43.91 51.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.482 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.003 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.95 -42.63 57.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.438 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.91 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.8 -40.67 60.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.51 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.617 -0.719 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.875 0.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.77 73.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.497 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.49 -44.79 62.61 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.78 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.53 -34.03 67.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.479 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.94 -46.86 70.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.572 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.67 -42.77 60.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.47 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.34 67.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.463 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.78 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.9 -45.09 87.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.462 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.98 -47.8 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.528 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.993 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.71 -41.16 69.98 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.523 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.57 39.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.692 ' O ' ' HG2' ' A' ' 21' ' ' MET . 74.8 m -56.51 -54.25 48.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.491 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.88 -30.25 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.483 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.296 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.33 -52.15 13.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.491 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -42.3 99.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.501 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.78 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 98.2 mmm -64.59 -37.91 89.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.576 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.296 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.46 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.15 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.78 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.32 -46.4 80.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.509 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.74 -48.97 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.531 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.888 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -42.99 99.85 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.34 75.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.449 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.765 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.03 -49.77 54.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.521 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.55 -49.01 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.501 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.91 -42.2 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.549 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.216 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.63 -47.57 44.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.504 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.229 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.79 -51.56 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.506 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.356 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.71 -48.02 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.504 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.826 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.69 -52.73 6.98 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.216 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.97 -54.96 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.503 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.229 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.63 -54.99 27.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.474 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.356 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.82 -37.18 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.46 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.826 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.68 -47.27 62.57 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.981 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.3 mm -59.11 -42.77 87.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.915 0.388 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.34 80.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.497 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 86.4 mt -54.87 -33.76 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.966 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.7 -44.49 96.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.473 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.016 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.7 -43.4 69.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.612 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.9 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.25 -45.38 48.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.553 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.91 -42.65 57.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.503 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.966 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 100.0 m -74.93 -43.96 51.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.474 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.016 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.93 -42.65 57.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.402 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.9 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.81 -40.64 60.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.504 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 120.915 0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.69 -37.74 73.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.55 -44.78 62.81 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.497 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.786 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.52 -34.01 67.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.511 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -46.86 70.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.554 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.69 -42.78 60.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.56 -38.3 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.477 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.786 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.97 -45.04 87.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.477 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.03 -47.82 76.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.967 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.63 -41.17 69.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.521 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.61 38.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.438 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.689 ' O ' ' HG2' ' A' ' 21' ' ' MET . 74.7 m -56.53 -54.21 48.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.472 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.91 -30.28 67.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.489 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.23 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.23 -52.2 13.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.527 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.33 -42.26 99.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.497 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.774 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 98.2 mmm -64.71 -37.81 88.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.566 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.23 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.65 -32.45 42.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.65 -32.74 64.05 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.774 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.3 -46.45 80.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.491 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.93 79.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.508 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.908 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.34 -43.03 99.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.535 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.88 -46.29 75.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.467 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.766 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.06 -49.78 54.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.5 -49.02 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.517 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.94 -42.19 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.516 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.236 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.52 44.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.537 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.284 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.88 -51.5 71.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.495 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.298 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.7 -48.07 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.512 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.84 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.7 6.97 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.236 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.9 -55.01 9.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.528 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.284 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.64 -55.01 26.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.388 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.298 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.83 -37.11 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.502 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.84 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.7 -47.32 62.19 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.995 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.6 mm -59.03 -42.76 87.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 110.603 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.44 -45.41 80.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.499 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.1 mt -54.82 -33.75 61.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.969 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.73 -44.46 96.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.448 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.012 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.41 69.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.577 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.93 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.29 -45.34 48.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.524 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.93 -42.65 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.483 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.969 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.95 -43.93 51.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.482 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.012 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.92 -42.64 57.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.467 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.93 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.79 -40.69 61.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.464 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 . -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.195 0 CA-C-O 120.888 0.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.72 -37.71 73.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.501 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.54 -44.79 62.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.78 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.54 -33.97 67.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.01 -46.87 70.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.68 -42.76 60.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.427 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.28 67.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.78 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.95 -45.08 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.98 -47.8 76.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.534 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.984 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.21 69.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.472 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.51 -48.63 38.98 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.517 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.54 -54.19 48.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.468 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.23 67.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.518 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.259 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.2 m -74.25 -52.19 13.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.49 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.34 -42.26 99.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.768 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.71 -37.83 88.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.537 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.259 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.55 -32.56 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.484 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -32.77 64.24 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.768 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.36 -46.4 80.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.5 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.92 79.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.497 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.91 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -43.05 99.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.51 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.78 -46.38 75.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.441 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.759 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.01 -49.8 54.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.544 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.53 -48.97 84.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.54 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.97 -42.15 78.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.533 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.23 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.69 -47.49 44.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.526 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.24 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.81 -51.5 71.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.361 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.8 -48.01 35.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.513 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.842 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.64 7.02 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.23 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.98 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 0.0 110.484 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.24 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.58 -55.02 27.03 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.456 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.361 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.84 -37.13 47.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.458 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.842 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.3 62.28 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.986 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.07 -42.78 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.577 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.45 -45.33 80.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.539 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.0 mt -54.85 -33.75 62.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.486 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.91 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.78 -44.43 96.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.467 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.001 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.75 -43.4 68.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.542 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.925 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.31 -45.37 47.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.485 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.571 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.83 -42.69 57.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.554 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.91 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.01 -43.89 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.465 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.001 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.95 -42.68 57.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.436 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.925 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.78 -40.63 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.593 -0.73 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.57 -44.78 62.86 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.48 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.789 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.91 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.505 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.08 -46.83 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.5 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.65 -42.79 60.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.463 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.52 -38.37 68.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.789 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.88 -45.07 87.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.483 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.99 -47.84 76.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.982 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.65 -41.17 69.77 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.58 38.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.481 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.54 -54.24 48.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.95 -30.18 67.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.483 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.23 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.33 -52.19 12.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.432 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.35 -42.22 99.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.511 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.769 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.68 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.503 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.23 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.47 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.469 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.64 -32.76 64.05 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.769 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.44 -46.29 80.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.473 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.96 79.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.498 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.908 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.02 99.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.5 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.86 -46.38 75.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.438 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.763 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.98 -49.77 54.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.532 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.7 t -63.57 -48.97 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.484 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.4 t -56.97 -42.22 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.468 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.235 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.65 -47.49 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.562 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.224 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.82 -51.5 71.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.557 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.327 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.72 -48.14 35.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.489 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.62 -52.68 7.08 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.235 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.01 -54.94 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.52 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.224 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.59 -55.05 26.79 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.476 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.327 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.81 -37.09 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.453 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.8 -47.27 61.94 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.973 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.71 87.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.36 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.498 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.1 tp -54.87 -33.77 62.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.954 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.003 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.42 69.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.618 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 1.038 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.23 -45.43 48.14 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.523 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.88 -42.63 57.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.555 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.954 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.88 -44.03 51.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.003 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.91 -42.65 57.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.401 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 1.038 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.84 -40.69 60.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.458 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.648 -0.705 . . . . 0.0 . 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.217 0 CA-C-O 120.927 0.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.89 73.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.465 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.38 -44.84 62.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.527 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.787 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.56 -33.97 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.463 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.87 69.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.507 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -73.68 -42.75 60.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.35 68.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.787 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.92 -45.06 87.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.0 -47.76 76.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.591 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.968 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.79 -41.1 70.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.429 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.62 38.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.502 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.55 -54.22 48.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.483 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.17 67.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.535 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.277 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.38 -52.16 12.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.488 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.29 -42.26 99.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.586 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.749 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.62 -37.89 89.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.579 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.277 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.49 42.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.476 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.15 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.749 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.33 -46.44 80.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.494 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.71 -48.88 79.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.563 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.906 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.49 -43.01 99.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.487 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.661 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.8 -46.39 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.456 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.763 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.78 54.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.576 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.51 -48.97 84.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.551 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -57.06 -42.09 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.207 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.66 -47.51 44.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.534 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.244 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.89 -51.47 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.472 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.257 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.8 -47.99 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.478 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.73 -52.71 6.95 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.207 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.99 -54.95 9.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.939 0.399 . . . . 0.0 110.532 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.244 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.8 m -63.65 -55.02 26.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.462 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.257 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.16 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.46 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.73 -47.23 62.53 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.985 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.03 -42.77 87.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 110.616 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.51 -45.32 81.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.519 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.553 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.88 -33.79 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.396 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.959 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.72 -44.44 96.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.491 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.022 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.47 68.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.582 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 1.051 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.29 -45.35 48.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.496 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.64 57.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.959 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.96 -43.89 51.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.527 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.022 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.97 -42.61 57.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.472 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 1.051 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.78 -40.65 61.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.526 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.604 -0.725 . . . . 0.0 . 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.848 0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.69 73.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.49 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.53 -44.84 62.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.49 -34.04 67.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.85 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.75 60.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.518 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.37 67.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.438 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.87 -45.09 87.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.485 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.0 -47.8 76.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.992 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.71 -41.14 69.93 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.558 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.59 39.01 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.54 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.5 -54.25 48.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.518 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.26 67.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.479 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.288 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.27 -52.19 13.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.491 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.25 -42.33 99.23 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.541 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.773 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.56 -37.92 89.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.596 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.288 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.47 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.513 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -32.8 64.22 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.773 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.33 -46.38 80.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.953 0.406 . . . . 0.0 110.52 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.77 -48.97 79.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.903 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.41 -42.96 99.83 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.85 -46.33 75.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.476 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.756 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.8 ttp -69.02 -49.74 54.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.554 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.56 -49.06 84.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.491 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.83 -42.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.547 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.167 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.65 -47.53 44.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.249 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.83 -51.58 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.501 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.344 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.65 -48.07 36.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.524 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.83 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.66 -52.73 7.0 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.167 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.02 -54.94 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.484 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.249 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.62 -55.01 27.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.46 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.344 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.21 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.484 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.83 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.64 -47.3 62.65 Favored Glycine 0 N--CA 1.461 0.355 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.965 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.14 -42.72 87.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.573 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.53 -45.3 81.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.459 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.561 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.84 -33.84 62.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.464 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.967 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.63 -44.52 96.83 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.505 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.008 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.4 69.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.637 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 1.046 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.3 -45.31 48.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.552 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.96 -42.66 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.48 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.967 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.88 -44.0 51.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.469 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.008 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.92 -42.67 57.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.383 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 1.046 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.81 -40.64 60.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.505 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.603 -0.726 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 120.868 0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.538 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.56 -44.79 62.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.475 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.778 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.54 -34.02 67.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.496 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.88 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.552 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.78 60.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.55 -38.3 68.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.502 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.778 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.97 -45.04 87.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.497 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.05 -47.81 76.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.509 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.981 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.62 -41.16 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.509 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.63 38.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.401 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -56.54 -54.18 48.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.486 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.28 67.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.495 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.263 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.23 -52.24 12.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.478 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.25 99.2 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.506 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.769 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.73 -37.82 88.88 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.585 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.263 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.6 -32.48 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.497 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.79 64.09 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.769 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.26 -46.43 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.522 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.96 79.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.477 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.905 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.32 -43.05 99.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.536 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.36 75.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.458 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.766 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.82 54.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.564 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.44 -49.05 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.531 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 26' ' ' TRP . 67.0 t -56.97 -42.2 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.485 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.214 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.6 -47.51 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.572 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.291 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.93 -51.45 72.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.481 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.325 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.71 -48.09 35.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.507 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.842 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.69 -52.73 6.97 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.214 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.91 -54.98 9.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.562 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.291 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.63 -55.06 26.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.325 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.79 -37.09 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.538 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.842 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.34 62.06 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.978 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.0 -42.73 87.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.895 0.378 . . . . 0.0 110.629 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.5 -45.4 81.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.496 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.8 -33.78 61.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.539 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.942 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.54 96.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.465 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.01 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.42 69.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.553 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 1.076 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.26 -45.37 48.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.9 -42.71 57.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.453 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.942 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.3 m -74.89 -43.96 51.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.496 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.01 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.89 -42.67 57.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.478 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 1.076 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.67 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.428 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.65 -0.704 . . . . 0.0 . -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.212 0 CA-C-O 120.882 0.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.73 -37.68 73.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.477 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.59 -44.8 62.92 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.501 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.788 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.46 -33.98 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.56 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.84 70.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.523 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.7 -42.76 60.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.57 -38.31 67.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.788 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.93 -45.14 87.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.437 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.9 -47.85 76.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.517 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.964 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.7 -41.25 70.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.442 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.46 -48.63 39.37 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.54 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.55 -54.2 48.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.462 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.87 -30.24 67.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.541 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.275 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.29 -52.19 13.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.469 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -42.23 99.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.778 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.74 -37.85 89.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.508 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.275 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.55 -32.61 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 -32.86 64.43 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.778 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.7 m-85 -65.31 -46.4 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.519 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.81 -48.9 79.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.514 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.898 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.04 99.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.537 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.79 -46.35 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.457 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.766 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.04 -49.78 54.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.56 -48.96 84.51 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.527 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.3 t -56.98 -42.16 78.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.542 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.233 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.48 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.557 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.219 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.84 -51.5 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.526 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.339 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.84 -47.91 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.539 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.846 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.61 6.97 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.233 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.02 -54.98 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.492 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.219 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.0 m -63.58 -54.99 27.32 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.494 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.339 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.89 -37.12 47.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.435 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.846 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.29 62.32 Favored Glycine 0 N--CA 1.461 0.335 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.986 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.6 mm -59.05 -42.8 87.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 110.582 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.42 -45.36 80.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.547 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.82 -33.74 61.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.474 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.946 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.481 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.017 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.71 -43.43 68.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.58 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 1.066 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.25 -45.4 48.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.5 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.76 -42.74 57.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.596 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.946 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.2 m -75.01 -43.85 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.464 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.017 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.99 -42.65 57.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.439 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 1.066 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.76 -40.65 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.531 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.61 -0.723 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.78 73.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.526 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.51 -44.81 62.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.498 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.791 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.87 67.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.519 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.81 69.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.64 -42.84 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.471 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.47 -38.37 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.525 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.791 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.94 -45.04 87.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.47 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.01 -47.83 76.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.472 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.961 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.66 -41.14 69.78 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.527 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.56 38.98 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.503 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -56.57 -54.24 48.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.16 67.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.52 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.255 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.38 -52.15 12.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.453 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.37 -42.21 99.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.539 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.766 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.67 -37.89 89.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.498 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.255 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.6 -32.43 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.8 63.92 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.766 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.39 -46.31 80.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.494 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.99 79.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.505 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.902 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.37 -43.01 99.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.49 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.657 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.89 -46.39 75.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.428 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.763 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.96 -49.74 55.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.582 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.61 -48.96 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.472 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -57.01 -42.18 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.442 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.203 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.63 -47.52 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.554 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.239 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.77 -51.47 72.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.617 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.34 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.77 -48.1 35.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.507 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.846 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.61 -52.71 7.06 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.203 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.94 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.532 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.239 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.58 -55.03 26.99 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.481 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.34 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.84 -37.08 47.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.431 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.846 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.79 -47.26 62.06 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.965 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.11 -42.68 87.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.59 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.36 81.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.492 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.85 -33.83 62.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.963 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.64 -44.49 96.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.472 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.019 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.44 69.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.599 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 1.068 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.22 -45.39 48.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.537 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.65 57.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.54 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.963 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.93 -43.98 51.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.47 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.019 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.91 -42.68 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.36 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 1.068 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.86 -40.62 60.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.475 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.625 -0.716 . . . . 0.0 . 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 120.929 0.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.85 73.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.482 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.36 -44.83 62.18 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.556 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.789 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.6 -33.93 67.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.479 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.88 69.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.73 60.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.435 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.54 -38.36 68.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.789 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.91 -45.04 87.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.491 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.03 -47.75 76.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.565 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.971 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.83 -41.03 70.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.455 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.62 -48.62 38.07 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.499 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.48 -54.29 47.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.483 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.11 67.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.29 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.39 -52.14 12.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.492 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.27 99.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.589 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.769 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.1 ttp -64.62 -37.88 89.1 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.586 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.29 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.57 -32.48 42.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.464 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.64 -32.76 64.04 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.769 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.7 m-85 -65.33 -46.42 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.494 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.77 -48.86 79.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.542 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.906 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.79 -46.38 75.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.479 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.759 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.97 -49.8 54.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.567 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.54 -48.93 84.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.556 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.3 t -57.04 -42.13 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.21 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.64 -47.49 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.563 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.241 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.91 -51.45 72.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.486 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.268 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.4 t -74.83 -47.97 35.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.437 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.76 -52.66 6.96 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.21 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.01 -54.95 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 0.0 110.535 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.241 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.8 m -63.67 -55.0 26.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.435 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.268 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.81 -37.18 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.417 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.17 62.88 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.986 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.82 87.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.901 0.381 . . . . 0.0 110.566 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.43 -45.38 80.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.539 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.2 tp -54.88 -33.79 62.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.376 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.958 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.71 -44.43 96.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.488 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.016 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.46 68.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.602 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 1.071 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.31 -45.34 48.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.519 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.89 -42.65 57.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.527 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.958 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.97 -43.91 51.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.499 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.016 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.63 57.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 1.071 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.68 60.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.503 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.615 -0.721 . . . . 0.0 . 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.13 0 CA-C-O 120.813 0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.67 73.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.485 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.52 -44.88 62.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.48 -34.04 67.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.468 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.9 70.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.68 -42.69 60.97 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.542 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.61 -38.35 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.447 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.9 -45.06 87.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.493 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.8 76.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.49 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.986 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.65 -41.14 69.74 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.583 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.57 39.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.563 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -56.55 -54.24 48.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.511 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.28 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.503 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.287 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.0 m -74.28 -52.16 13.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.512 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.24 -42.35 99.24 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.522 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.746 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.53 -37.91 89.19 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.612 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.287 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.6 -32.47 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.519 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.56 -32.78 64.25 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.746 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.32 -46.42 80.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.52 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.94 79.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.897 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.4 -42.98 99.84 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.591 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.83 -46.34 75.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.484 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.764 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.98 -49.77 54.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.58 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.56 -49.04 84.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.512 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.8 -42.27 77.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.559 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.202 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.3 t -73.64 -47.54 44.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.461 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.243 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.82 -51.6 70.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.458 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.331 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.65 -48.08 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.83 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.67 -52.75 6.98 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.202 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.98 -54.94 9.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.243 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.5 m -63.66 -55.04 26.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.331 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.75 -37.22 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.457 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.83 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.65 -47.33 62.44 Favored Glycine 0 N--CA 1.461 0.36 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.967 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.13 -42.68 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.941 0.401 . . . . 0.0 110.61 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.53 -45.3 81.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.431 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.553 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.2 tp -54.89 -33.8 62.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.463 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.957 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.65 -44.51 96.83 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.511 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.015 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.37 69.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.647 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 1.05 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.28 -45.34 48.24 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.55 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.94 -42.65 57.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.472 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.957 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.91 -44.01 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.482 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.015 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.88 -42.67 57.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.401 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 1.05 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.85 -40.62 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.593 -0.73 . . . . 0.0 . 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.852 0.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.67 -37.75 73.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.556 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.51 -44.85 62.69 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.5 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.781 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.49 -34.04 67.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.88 70.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.515 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.79 60.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.56 -38.23 68.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.512 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.781 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 48.4 t -65.02 -45.04 87.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.473 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.07 -47.75 76.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.532 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.986 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.59 -41.21 69.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.541 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.61 38.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.409 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.57 -54.17 49.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.471 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.24 67.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.512 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.243 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.27 -52.24 12.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.468 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.28 -42.23 99.17 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.54 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.775 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.76 -37.76 88.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.243 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.67 -32.39 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.517 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.66 -32.84 63.93 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.775 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.23 -46.43 80.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.537 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.93 79.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.495 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.904 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.36 -43.05 99.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.508 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.652 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.35 75.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.758 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.8 ttp -68.96 -49.85 54.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.566 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.39 -49.02 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.591 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -56.98 -42.26 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.46 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.201 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.58 -47.52 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.284 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.96 -51.42 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.459 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.349 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.71 -48.11 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.478 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.68 -52.71 6.99 Favored Glycine 0 N--CA 1.461 0.322 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.201 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.93 -54.94 9.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.869 0.366 . . . . 0.0 110.592 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.284 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.62 -55.05 26.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.447 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.349 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.08 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.582 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.28 62.12 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.978 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -58.98 -42.76 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.903 0.382 . . . . 0.0 110.646 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.46 -45.38 80.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.54 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.563 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.82 -33.78 62.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.505 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.962 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.57 96.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.464 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.002 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.39 69.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.562 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 1.06 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.3 -45.32 48.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.516 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.94 -42.68 57.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.962 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -43.98 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.477 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.002 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.91 -42.63 57.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.446 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 1.06 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.82 -40.69 60.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.423 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.653 -0.703 . . . . 0.0 . -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.218 0 CA-C-O 120.898 0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.75 -37.68 73.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.58 -44.81 62.91 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.515 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.784 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.47 -34.01 67.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.505 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.0 -46.87 70.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.7 -42.8 60.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.392 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.29 68.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.784 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.94 -45.17 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.86 -47.84 76.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.529 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.972 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.19 70.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.425 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.49 -48.63 39.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.529 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.57 -54.21 48.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.88 -30.22 67.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.532 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.271 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.7 m -74.3 -52.19 13.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.465 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.25 99.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.749 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.1 ttp -64.72 -37.84 88.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.531 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.271 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.59 -32.62 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 -32.85 64.46 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.749 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.34 -46.34 80.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.531 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.87 -48.89 79.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.499 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.91 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.35 -43.08 99.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.528 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.72 -46.39 75.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.487 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.765 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.8 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.6 t -63.49 -49.01 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.565 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.99 -42.12 78.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.53 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.191 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.66 -47.45 44.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.255 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.89 -51.5 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.526 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.312 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.82 -47.92 35.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.54 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.58 6.99 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.191 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.05 -54.95 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.494 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.255 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.56 -55.06 26.79 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.492 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.312 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.83 -37.13 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.446 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.25 62.4 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.988 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.1 -42.77 87.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.895 0.379 . . . . 0.0 110.584 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.718 ' HE2' ' HD2' ' A' ' 44' ' ' LYS . 88.2 tttt -56.43 -45.35 80.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.541 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.85 -33.75 62.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.448 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.924 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.77 -44.41 96.93 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.51 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.011 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.43 68.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.57 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 1.072 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 62.7 mtpt -74.26 -45.41 47.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.458 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.71 -42.79 57.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.573 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.924 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.02 -43.83 51.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.011 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.96 -42.64 57.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.485 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 1.072 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.65 61.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.517 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.624 -0.717 . . . . 0.0 . -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 120.848 0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.7 -37.73 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.53 -44.85 62.74 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.469 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.787 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.89 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.518 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.82 70.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.545 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.67 -42.83 60.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.452 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.48 -38.41 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.519 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.787 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.9 -45.02 87.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.506 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.05 -47.8 76.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.442 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.972 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.12 69.84 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.526 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.55 39.11 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.511 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.63 -54.22 48.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.97 -30.15 67.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.474 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.232 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.8 m -74.41 -52.1 13.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.484 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.38 -42.23 99.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.509 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.68 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.495 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.232 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.42 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.449 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.79 63.93 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 92.0 t80 -65.42 -46.29 80.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.48 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.99 79.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.501 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.909 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -43.0 99.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.494 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.89 -46.4 75.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.572 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.0 -49.74 55.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.539 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.6 -48.93 84.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.504 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -57.04 -42.15 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.48 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.227 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.57 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.534 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.237 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.71 -51.49 72.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.632 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.35 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.78 -48.07 35.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.516 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.842 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.66 -52.64 7.07 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.227 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.03 -54.92 9.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.528 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.237 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.58 -55.06 26.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.466 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.35 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.15 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.394 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.842 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.27 62.23 Favored Glycine 0 N--CA 1.461 0.311 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.991 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.13 -42.68 87.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.876 0.369 . . . . 0.0 110.578 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.44 -45.38 80.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.525 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.9 -33.77 62.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.501 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.963 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.9 m-30 -61.63 -44.54 96.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.469 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.016 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.63 -43.49 69.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.612 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 1.076 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.21 -45.35 48.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.565 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.95 -42.59 57.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.541 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.963 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.98 -43.95 51.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.436 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.016 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.94 -42.69 57.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.365 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 1.076 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.85 -40.64 60.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.432 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.652 -0.704 . . . . 0.0 . -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 120.916 0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.91 73.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.25 -44.9 61.85 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.558 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.79 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.58 -33.92 67.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.468 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.88 69.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.65 -42.76 60.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.464 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.52 -38.35 68.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.554 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.79 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.92 -45.01 87.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.05 -47.75 76.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.537 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.962 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.12 70.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.45 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.62 38.09 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.489 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.46 -54.32 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.1 67.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.567 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.281 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.1 m -74.39 -52.13 13.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.33 -42.29 99.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.564 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.61 -37.87 89.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.586 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.281 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.61 -32.46 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.437 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.6 -32.84 64.09 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.32 -46.37 80.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.83 -48.85 80.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.534 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.909 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.499 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.76 -46.38 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.48 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.562 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.01 -49.75 54.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.545 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.58 -48.93 84.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.554 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.99 -42.15 78.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.212 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.64 -47.48 44.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.575 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.258 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.91 -51.46 72.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.477 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.28 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.85 -47.94 35.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.84 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.78 -52.64 6.95 Favored Glycine 0 N--CA 1.462 0.384 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.212 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.05 -54.95 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.494 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.258 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 96.9 m -63.67 -55.0 26.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.441 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.28 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.25 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.45 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.84 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.69 -47.18 63.06 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.976 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.1 -42.75 87.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.881 0.372 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.34 80.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.563 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.567 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.93 -33.78 62.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.345 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.95 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.69 -44.44 96.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.014 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.42 69.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.614 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 1.076 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.38 -45.33 47.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.84 -42.69 57.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.54 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.95 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.91 -43.97 51.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.477 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.014 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.88 -42.66 57.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.466 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 1.076 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.81 -40.68 60.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.501 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.618 -0.719 . . . . 0.0 . 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.139 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.68 73.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.45 -44.92 62.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.513 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.784 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.52 -33.98 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.483 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.85 70.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.571 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.69 -42.67 60.95 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.55 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.62 -38.36 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.413 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.784 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.89 -45.08 87.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.505 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.78 76.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.482 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.974 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.71 -41.09 69.88 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.58 38.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.56 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.57 -54.23 48.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.481 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.83 -30.3 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.511 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.329 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.0 m -74.28 -52.11 13.28 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.532 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.28 -42.34 99.26 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.52 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.55 -37.88 89.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.63 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.329 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.64 -32.42 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.78 64.18 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.32 -46.42 80.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.406 . . . . 0.0 110.521 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.69 -48.97 79.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.573 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.896 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.4 -42.96 99.83 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.602 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.88 -46.33 75.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.46 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.573 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -68.97 -49.78 54.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.561 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.54 -49.02 84.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.527 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.9 t -56.9 -42.2 78.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.537 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.176 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.65 -47.57 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.437 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.24 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.81 -51.61 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.43 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.327 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.66 -48.1 35.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.469 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.827 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.65 -52.77 6.98 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.176 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.96 -54.89 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.512 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.24 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.72 -55.03 26.43 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.327 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.72 -37.25 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.485 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.827 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.6 -47.32 62.73 Favored Glycine 0 N--CA 1.461 0.344 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.974 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.15 -42.71 87.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 110.588 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.36 80.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.84 -33.79 62.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.508 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.95 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.68 -44.54 96.76 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.493 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.022 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.65 -43.36 69.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.643 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 1.046 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.31 -45.35 48.0 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.554 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.9 -42.67 57.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.487 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.95 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -44.0 51.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.022 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.68 57.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.376 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 1.046 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.83 -40.65 60.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.595 -0.729 . . . . 0.0 . 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.878 0.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.61 -37.83 73.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.532 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.48 -44.85 62.58 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.782 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.48 -34.0 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.569 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -46.87 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.504 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.85 60.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.363 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.54 -38.17 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.543 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.782 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 48.4 t -65.07 -45.06 86.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.426 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.76 76.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.514 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.987 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.58 -41.24 69.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.51 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.6 38.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.404 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.62 -54.15 49.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.44 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.28 67.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.525 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.315 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.27 -52.2 13.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.473 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.21 99.18 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.566 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.76 -37.76 88.7 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.634 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.315 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.7 -32.35 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.539 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.78 63.92 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.26 -46.42 80.59 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.97 0.414 . . . . 0.0 110.526 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.81 -48.92 79.74 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.477 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.884 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.02 99.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.513 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.85 -46.32 75.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.57 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.0 -49.84 54.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.38 -49.06 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.598 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -56.94 -42.29 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.486 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.205 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.52 -47.52 44.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.572 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.267 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.98 -51.41 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.427 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.352 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.7 -48.12 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.496 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.66 7.0 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.205 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.94 -54.98 9.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.895 0.379 . . . . 0.0 110.607 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.267 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.57 -55.07 26.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.44 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.352 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.8 -37.11 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.553 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.67 -47.32 62.34 Favored Glycine 0 C--N 1.331 0.279 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.975 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.2 mm -59.0 -42.73 87.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.878 0.37 . . . . 0.0 110.632 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.49 -45.4 81.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.519 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.77 -33.82 61.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.513 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.969 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.58 96.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 1.007 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.42 69.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.57 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 1.054 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.29 -45.35 48.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.517 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.88 -42.7 57.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.469 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.969 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 100.0 m -74.9 -43.98 51.32 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 1.007 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.66 57.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.431 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 1.054 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.83 -40.68 60.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.398 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.644 -0.707 . . . . 0.0 . -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.897 0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.84 -37.6 73.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.43 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.62 -44.81 63.03 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.487 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.45 -34.01 67.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.506 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.88 70.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.52 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.72 -42.77 60.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.412 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.27 68.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.586 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.92 -45.17 86.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.441 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.82 -47.86 76.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.564 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.977 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.17 70.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.458 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.47 -48.65 39.15 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.56 -54.24 48.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.21 67.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.557 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.252 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.31 -52.15 13.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.26 99.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.75 -37.8 88.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.252 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.6 -32.66 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.4 -32.85 64.63 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.37 -46.35 80.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.503 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.87 -48.86 79.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.895 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.4 t-105 -62.32 -43.14 99.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.533 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.68 -46.45 75.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.464 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.579 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -68.92 -49.84 54.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.596 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.3 t -63.47 -49.05 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.525 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.96 -42.14 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.516 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.23 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.69 -47.43 44.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.509 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.275 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.88 -51.51 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.529 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.291 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.77 -47.96 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.564 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.849 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.57 7.01 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.23 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.08 -54.9 9.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.49 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 1.275 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.63 -55.02 26.84 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.291 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.85 -37.12 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.446 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.849 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.28 62.2 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.994 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.07 -42.8 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.917 0.389 . . . . 0.0 110.559 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.46 -45.32 80.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.79 -33.79 61.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.467 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.941 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.75 -44.44 96.9 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.535 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.997 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.7 -43.43 69.02 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.612 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 1.051 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.26 -45.36 48.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.489 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.79 -42.74 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.558 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.941 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.09 -43.8 50.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.45 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.997 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.92 -42.67 57.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.495 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 1.051 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.79 -40.69 60.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.482 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 115.658 -0.701 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.886 0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.72 73.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.512 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.57 -44.81 62.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.469 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.791 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.5 -33.97 67.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.524 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.84 69.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.512 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.75 60.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.55 -38.39 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.478 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.791 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.87 -45.08 87.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.03 -47.79 76.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.495 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.983 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.16 69.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.514 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.6 38.85 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.53 -54.23 48.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.48 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.95 -30.16 67.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.3 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.36 -52.19 12.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.427 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.34 -42.24 99.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.508 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.759 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.66 -37.89 89.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.544 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.3 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.57 -32.5 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.431 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.78 64.1 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.759 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.4 -46.32 80.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.489 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.93 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.506 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.909 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.45 -42.96 99.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.504 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.87 -46.35 75.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.433 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.76 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.01 -49.76 54.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.525 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.5 t -63.58 -48.98 84.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.492 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -56.96 -42.2 78.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.498 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.207 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.63 -47.5 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.253 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.85 -51.48 72.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.318 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.73 -48.12 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.487 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.849 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.65 -52.67 7.07 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.207 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.97 9.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 110.519 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.253 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.63 -54.99 27.13 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.472 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.318 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.17 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.444 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.849 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.27 62.28 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 110.509 -1.037 . . . . 0.0 110.509 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.977 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.75 87.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.861 0.362 . . . . 0.0 110.596 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.37 80.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.484 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.563 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 86.2 mt -54.82 -33.78 62.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.971 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.7 -44.47 96.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.475 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.022 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.71 -43.44 68.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.571 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.912 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.22 -45.41 48.28 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.498 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.88 -42.65 57.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.524 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.971 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -43.98 51.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.504 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.022 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.91 -42.66 57.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.413 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.912 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.84 -40.65 60.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.467 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.634 -0.712 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 120.91 0.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.79 73.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.48 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.45 -44.79 62.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.782 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.6 -33.94 67.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.473 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.87 69.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.525 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.68 -42.77 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.454 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.52 -38.34 68.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.527 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.782 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.97 -45.03 87.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.461 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.04 -47.75 76.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.572 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.969 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.73 -41.16 70.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.462 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.53 -48.63 38.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.56 -54.22 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.458 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.91 -30.2 67.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.331 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.33 -52.18 12.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.773 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.65 -37.88 89.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.574 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.331 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.48 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.497 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.14 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.773 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.33 -46.41 80.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.517 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.74 -48.91 79.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.509 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.892 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.44 -43.03 99.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.513 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.657 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.8 -46.35 75.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.451 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.754 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.03 -49.77 54.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.544 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.54 -48.96 84.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.522 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -57.03 -42.12 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.516 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.177 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.67 -47.54 43.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.531 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.254 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.82 -51.49 72.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.494 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.258 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.8 -47.99 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.488 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.84 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.7 -52.7 6.98 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.177 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.99 -54.95 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 110.522 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.254 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.68 -54.99 26.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.43 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.258 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.75 -37.22 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.469 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.84 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.23 62.67 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.981 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.1 -42.74 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.899 0.381 . . . . 0.0 110.589 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.34 80.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.537 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.2 mt -54.87 -33.75 62.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.454 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.943 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.74 -44.48 96.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.47 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.003 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.44 69.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.592 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.91 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.29 -45.35 48.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.513 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.63 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.539 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.943 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.98 -43.91 51.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.482 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.003 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.95 -42.63 57.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.438 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.91 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.8 -40.67 60.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.51 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.617 -0.719 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.875 0.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.77 73.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.497 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.49 -44.79 62.61 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.78 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.53 -34.03 67.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.479 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.94 -46.86 70.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.572 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.67 -42.77 60.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.47 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.34 67.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.463 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.78 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.9 -45.09 87.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.462 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.98 -47.8 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.528 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.993 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.71 -41.16 69.98 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.523 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.57 39.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.692 ' O ' ' HG2' ' A' ' 21' ' ' MET . 74.8 m -56.51 -54.25 48.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.491 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.88 -30.25 67.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.483 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.296 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.33 -52.15 13.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.491 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -42.3 99.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.501 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.78 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 98.2 mmm -64.59 -37.91 89.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.576 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.296 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.46 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.15 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.78 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.32 -46.4 80.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.509 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.74 -48.97 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.531 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.888 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -42.99 99.85 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.543 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.34 75.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.449 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.765 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.03 -49.77 54.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.521 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.55 -49.01 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.501 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.91 -42.2 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.549 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.216 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.63 -47.57 44.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.504 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.229 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.79 -51.56 71.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.506 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.356 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.71 -48.02 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.504 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.826 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.69 -52.73 6.98 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.216 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.97 -54.96 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.503 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.229 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.2 m -63.63 -54.99 27.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.474 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.356 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.82 -37.18 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.46 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.826 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.68 -47.27 62.57 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.981 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.3 mm -59.11 -42.77 87.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.915 0.388 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.34 80.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.497 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 86.4 mt -54.87 -33.76 62.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.966 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.7 -44.49 96.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.473 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.016 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.7 -43.4 69.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.612 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.9 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.25 -45.38 48.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.553 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.91 -42.65 57.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.503 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.966 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 100.0 m -74.93 -43.96 51.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.474 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.016 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.93 -42.65 57.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.402 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.9 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.81 -40.64 60.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.504 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.603 -0.726 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 120.915 0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.69 -37.74 73.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.55 -44.78 62.81 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.497 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.786 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.52 -34.01 67.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.511 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -46.86 70.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.554 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.69 -42.78 60.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.56 -38.3 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.477 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.786 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.97 -45.04 87.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.477 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.03 -47.82 76.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.967 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.63 -41.17 69.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.521 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.61 38.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.438 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.689 ' O ' ' HG2' ' A' ' 21' ' ' MET . 74.7 m -56.53 -54.21 48.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.472 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.91 -30.28 67.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.489 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.23 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.23 -52.2 13.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.527 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.33 -42.26 99.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.497 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.774 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 98.2 mmm -64.71 -37.81 88.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.566 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.23 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.65 -32.45 42.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.65 -32.74 64.05 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.774 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.3 -46.45 80.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.491 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.93 79.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.508 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.908 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.34 -43.03 99.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.535 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.88 -46.29 75.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.467 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.766 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.06 -49.78 54.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.5 -49.02 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.517 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.94 -42.19 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.516 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.236 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.52 44.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.537 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.284 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.88 -51.5 71.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.495 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.298 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.7 -48.07 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.512 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.84 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.7 6.97 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.236 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.9 -55.01 9.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.528 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.284 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.64 -55.01 26.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.388 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.298 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.83 -37.11 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.502 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.84 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.7 -47.32 62.19 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.995 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.6 mm -59.03 -42.76 87.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 110.603 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.44 -45.41 80.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.499 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.1 mt -54.82 -33.75 61.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.969 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.73 -44.46 96.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.448 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.012 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.41 69.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.577 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.93 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.29 -45.34 48.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.524 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.93 -42.65 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.483 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.969 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.95 -43.93 51.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.482 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.012 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.92 -42.64 57.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.467 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.93 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.79 -40.69 61.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.464 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 . -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.195 0 CA-C-O 120.888 0.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.72 -37.71 73.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.501 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.54 -44.79 62.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.78 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.54 -33.97 67.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.53 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.01 -46.87 70.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.68 -42.76 60.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.427 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.28 67.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.508 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.78 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.95 -45.08 87.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.98 -47.8 76.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.534 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.984 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.21 69.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.472 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.51 -48.63 38.98 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.517 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.54 -54.19 48.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.468 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.23 67.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.518 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.259 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.2 m -74.25 -52.19 13.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.49 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.34 -42.26 99.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.768 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.71 -37.83 88.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.537 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.259 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.55 -32.56 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.484 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -32.77 64.24 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.768 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.36 -46.4 80.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.5 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.92 79.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.497 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.91 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -43.05 99.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.51 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.78 -46.38 75.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.441 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.759 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.01 -49.8 54.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.544 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.53 -48.97 84.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.54 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.97 -42.15 78.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.533 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.23 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.69 -47.49 44.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.526 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.24 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.81 -51.5 71.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.361 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.8 -48.01 35.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.513 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.842 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.64 7.02 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.23 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.98 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 0.0 110.484 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.24 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.58 -55.02 27.03 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.456 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.361 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.84 -37.13 47.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.458 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.842 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.3 62.28 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.986 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.07 -42.78 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 0.0 110.577 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.45 -45.33 80.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.539 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 45' ' ' PHE . 86.0 mt -54.85 -33.75 62.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.486 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.91 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.78 -44.43 96.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.467 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.001 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.75 -43.4 68.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.542 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.925 ' O ' ' HB3' ' A' ' 48' ' ' LYS . 88.2 tttt -74.31 -45.37 47.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.485 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.571 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.83 -42.69 57.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.554 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.91 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.01 -43.89 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.465 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.001 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.95 -42.68 57.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.436 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.925 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 88.3 tttt -74.78 -40.63 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.54 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 115.593 -0.73 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.57 -44.78 62.86 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.48 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.789 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.91 67.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.505 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.08 -46.83 69.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.5 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.65 -42.79 60.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.463 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.52 -38.37 68.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.789 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.88 -45.07 87.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.483 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.99 -47.84 76.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.982 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.65 -41.17 69.77 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.58 38.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.481 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.54 -54.24 48.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.483 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.95 -30.18 67.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.483 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.23 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.33 -52.19 12.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.432 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.35 -42.22 99.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.511 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.769 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.68 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.503 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.23 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.47 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.469 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.64 -32.76 64.05 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.769 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.44 -46.29 80.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.473 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.96 79.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.498 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.908 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.02 99.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.5 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.86 -46.38 75.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.438 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.763 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.98 -49.77 54.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.532 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.7 t -63.57 -48.97 84.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.484 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.4 t -56.97 -42.22 78.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.468 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.235 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.65 -47.49 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.562 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.224 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.82 -51.5 71.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.557 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.327 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.72 -48.14 35.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.489 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.62 -52.68 7.08 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.235 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.01 -54.94 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.52 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.224 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.59 -55.05 26.79 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.476 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.327 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.81 -37.09 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.453 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.8 -47.27 61.94 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.973 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.71 87.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.36 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.498 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.1 tp -54.87 -33.77 62.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.954 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.003 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.42 69.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.618 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.038 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.23 -45.43 48.14 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.523 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.88 -42.63 57.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.555 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.954 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.88 -44.03 51.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.483 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.003 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.91 -42.65 57.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.401 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.038 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.84 -40.69 60.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.458 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.648 -0.705 . . . . 0.0 . 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.217 0 CA-C-O 120.927 0.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.66 -37.89 73.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.465 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.38 -44.84 62.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.527 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.787 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.56 -33.97 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.463 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.87 69.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.507 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -73.68 -42.75 60.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.35 68.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.787 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.92 -45.06 87.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.0 -47.76 76.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.591 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.968 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.79 -41.1 70.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.429 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.62 38.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.502 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.55 -54.22 48.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.483 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.17 67.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.535 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.277 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.38 -52.16 12.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.488 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.29 -42.26 99.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.586 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.749 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.62 -37.89 89.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.579 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.277 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.56 -32.49 42.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.476 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.82 64.15 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.749 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.33 -46.44 80.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.494 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.71 -48.88 79.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.563 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.906 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.49 -43.01 99.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.487 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.661 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.8 -46.39 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.456 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.763 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.78 54.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.576 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.51 -48.97 84.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.551 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -57.06 -42.09 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.207 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.66 -47.51 44.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.534 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.244 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.89 -51.47 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.472 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.257 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.8 -47.99 35.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.478 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.73 -52.71 6.95 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.207 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.99 -54.95 9.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.939 0.399 . . . . 0.0 110.532 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.244 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.8 m -63.65 -55.02 26.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.462 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.257 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.16 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.46 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.73 -47.23 62.53 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.985 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.03 -42.77 87.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 110.616 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.51 -45.32 81.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.519 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.553 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.88 -33.79 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.396 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.959 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.72 -44.44 96.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.491 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.022 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.47 68.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.582 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.051 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.29 -45.35 48.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.496 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.64 57.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.959 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.96 -43.89 51.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.527 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.022 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.97 -42.61 57.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.472 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.051 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.78 -40.65 61.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.526 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.604 -0.725 . . . . 0.0 . 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 120.848 0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.69 73.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.49 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.53 -44.84 62.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.49 -34.04 67.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.443 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.85 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.75 60.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.518 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.58 -38.37 67.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.438 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.87 -45.09 87.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.485 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.0 -47.8 76.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.992 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.71 -41.14 69.93 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.558 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.59 39.01 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.54 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.5 -54.25 48.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.518 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.26 67.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.479 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.288 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.27 -52.19 13.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.491 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.25 -42.33 99.23 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.541 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.773 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.56 -37.92 89.23 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.596 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.288 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.47 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.513 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -32.8 64.22 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.773 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.33 -46.38 80.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.953 0.406 . . . . 0.0 110.52 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.77 -48.97 79.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.512 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.903 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.41 -42.96 99.83 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.559 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.85 -46.33 75.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.476 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.756 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.8 ttp -69.02 -49.74 54.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.554 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.56 -49.06 84.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.491 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.83 -42.24 77.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.547 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.167 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.65 -47.53 44.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.249 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.83 -51.58 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.501 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.344 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.65 -48.07 36.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.524 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.83 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.66 -52.73 7.0 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.167 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.02 -54.94 9.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.484 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.249 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.62 -55.01 27.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.46 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.344 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.21 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.484 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.83 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.64 -47.3 62.65 Favored Glycine 0 N--CA 1.461 0.355 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.965 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.14 -42.72 87.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.961 0.41 . . . . 0.0 110.573 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.53 -45.3 81.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.459 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.561 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.84 -33.84 62.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.464 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.967 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.63 -44.52 96.83 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.505 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.008 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.4 69.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.637 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.046 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.3 -45.31 48.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.552 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.96 -42.66 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.48 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.967 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.88 -44.0 51.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.469 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.008 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.92 -42.67 57.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.383 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.046 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.81 -40.64 60.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.505 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.603 -0.726 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.181 0 CA-C-O 120.868 0.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.538 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.56 -44.79 62.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.475 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.778 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.54 -34.02 67.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.496 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.88 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.552 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.78 60.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.55 -38.3 68.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.502 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.778 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.97 -45.04 87.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.497 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.05 -47.81 76.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.509 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.981 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.62 -41.16 69.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.509 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.63 38.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.401 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -56.54 -54.18 48.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.486 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.28 67.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.495 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.263 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.23 -52.24 12.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.478 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.25 99.2 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.506 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.769 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.73 -37.82 88.88 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.585 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.263 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.6 -32.48 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.497 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.62 -32.79 64.09 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.769 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 66.0 m-85 -65.26 -46.43 80.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.522 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.78 -48.96 79.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.477 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.905 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.32 -43.05 99.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.536 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.36 75.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.458 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.766 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.82 54.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.564 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.44 -49.05 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.531 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 26' ' ' TRP . 67.0 t -56.97 -42.2 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.485 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.214 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.6 -47.51 44.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.572 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.291 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.93 -51.45 72.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.481 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.325 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.71 -48.09 35.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.507 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.842 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.69 -52.73 6.97 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.214 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.91 -54.98 9.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.562 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.291 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.63 -55.06 26.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.325 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.79 -37.09 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.538 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.842 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.34 62.06 Favored Glycine 0 CA--C 1.519 0.307 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.978 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.0 -42.73 87.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.895 0.378 . . . . 0.0 110.629 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.5 -45.4 81.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.496 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.8 -33.78 61.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.539 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.942 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.54 96.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.465 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.01 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.42 69.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.553 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.076 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.26 -45.37 48.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.9 -42.71 57.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.453 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.942 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.3 m -74.89 -43.96 51.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.496 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.01 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.89 -42.67 57.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.478 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.076 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.67 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.428 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.65 -0.704 . . . . 0.0 . -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.212 0 CA-C-O 120.882 0.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.73 -37.68 73.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.477 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.59 -44.8 62.92 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.501 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.788 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.46 -33.98 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.56 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.84 70.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.523 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.7 -42.76 60.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.57 -38.31 67.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.509 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.788 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.93 -45.14 87.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.437 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.9 -47.85 76.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.517 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.964 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.7 -41.25 70.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.442 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.46 -48.63 39.37 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.54 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.55 -54.2 48.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.462 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.87 -30.24 67.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.541 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.275 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.29 -52.19 13.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.469 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.32 -42.23 99.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.551 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.778 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 62.2 tpp -64.74 -37.85 89.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.508 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.275 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.55 -32.61 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 -32.86 64.43 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.778 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.7 m-85 -65.31 -46.4 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.519 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.81 -48.9 79.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.514 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.898 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.04 99.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.537 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.79 -46.35 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.457 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.766 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -69.04 -49.78 54.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.56 -48.96 84.51 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.527 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.3 t -56.98 -42.16 78.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.542 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.233 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.48 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.557 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.219 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.84 -51.5 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.526 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.339 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.84 -47.91 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.539 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.846 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.61 6.97 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.233 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.02 -54.98 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.492 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.219 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.0 m -63.58 -54.99 27.32 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.494 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.339 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.89 -37.12 47.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.435 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.846 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.71 -47.29 62.32 Favored Glycine 0 N--CA 1.461 0.335 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.986 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.6 mm -59.05 -42.8 87.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 110.582 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.42 -45.36 80.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.547 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.82 -33.74 61.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.474 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.946 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.8 -44.43 96.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.481 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.017 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.71 -43.43 68.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.58 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.066 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.25 -45.4 48.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.5 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.76 -42.74 57.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.596 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.946 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.2 m -75.01 -43.85 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.464 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.017 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.99 -42.65 57.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.439 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.066 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.76 -40.65 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.531 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.61 -0.723 . . . . 0.0 . 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.78 73.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.526 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.51 -44.81 62.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.498 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.791 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.87 67.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.519 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.81 69.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.64 -42.84 60.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.471 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.47 -38.37 68.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.525 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.791 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.94 -45.04 87.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.47 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.01 -47.83 76.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.472 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.961 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.66 -41.14 69.78 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.527 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.56 38.98 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.503 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.8 m -56.57 -54.24 48.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.478 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.16 67.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.52 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.255 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.3 m -74.38 -52.15 12.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.453 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.37 -42.21 99.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.539 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.766 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.67 -37.89 89.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.498 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.255 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.6 -32.43 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.8 63.92 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.766 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.39 -46.31 80.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.494 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.99 79.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.505 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.902 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.37 -43.01 99.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.49 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.657 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.89 -46.39 75.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.428 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.763 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.96 -49.74 55.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.582 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.1 t -63.61 -48.96 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.472 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -57.01 -42.18 78.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.442 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.203 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.63 -47.52 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.554 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.239 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.77 -51.47 72.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.617 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.34 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.77 -48.1 35.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.507 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.846 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.61 -52.71 7.06 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.203 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.0 -54.94 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.532 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.239 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.58 -55.03 26.99 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.481 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.34 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.84 -37.08 47.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.431 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.846 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.79 -47.26 62.06 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.524 -1.031 . . . . 0.0 110.524 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.965 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.11 -42.68 87.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.59 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.36 81.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.492 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.85 -33.83 62.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.963 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.64 -44.49 96.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.472 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.019 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.44 69.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.599 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.068 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.22 -45.39 48.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.537 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.89 -42.65 57.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.54 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.963 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.93 -43.98 51.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.47 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.019 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.91 -42.68 57.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.36 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.068 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.86 -40.62 60.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.475 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.625 -0.716 . . . . 0.0 . 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 120.929 0.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.68 -37.85 73.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.482 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.36 -44.83 62.18 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.556 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.789 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.6 -33.93 67.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.479 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.88 69.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.73 60.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.435 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.54 -38.36 68.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.789 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.91 -45.04 87.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.491 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -65.03 -47.75 76.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.565 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.971 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.83 -41.03 70.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.455 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.62 -48.62 38.07 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.499 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.48 -54.29 47.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.483 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.11 67.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.29 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.39 -52.14 12.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.492 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.27 99.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.589 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.769 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.1 ttp -64.62 -37.88 89.1 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.586 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.29 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.57 -32.48 42.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.464 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.64 -32.76 64.04 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.769 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.7 m-85 -65.33 -46.42 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.494 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.77 -48.86 79.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.542 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.906 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.79 -46.38 75.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.479 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.759 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.97 -49.8 54.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.567 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.54 -48.93 84.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.556 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.3 t -57.04 -42.13 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.21 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.7 t -73.64 -47.49 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.563 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.241 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.91 -51.45 72.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.486 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.268 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.4 t -74.83 -47.97 35.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.437 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.76 -52.66 6.96 Favored Glycine 0 N--CA 1.462 0.373 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.21 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.01 -54.95 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 0.0 110.535 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.241 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.8 m -63.67 -55.0 26.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.435 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.268 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.81 -37.18 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.417 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.17 62.88 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.986 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.06 -42.82 87.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.901 0.381 . . . . 0.0 110.566 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.43 -45.38 80.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.539 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 45' ' ' PHE . 39.2 tp -54.88 -33.79 62.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.376 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.958 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.71 -44.43 96.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.488 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.016 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.46 68.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.602 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.071 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.31 -45.34 48.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.519 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.89 -42.65 57.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.527 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.958 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.97 -43.91 51.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.499 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.016 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.63 57.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.071 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.68 60.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.503 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.615 -0.721 . . . . 0.0 . 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.13 0 CA-C-O 120.813 0.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.67 73.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.485 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.52 -44.88 62.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.48 -34.04 67.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.468 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.9 70.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.68 -42.69 60.97 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.542 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.61 -38.35 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.447 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.9 -45.06 87.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.493 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.8 76.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.49 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.986 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.65 -41.14 69.74 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.583 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.54 -48.57 39.13 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.563 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -56.55 -54.24 48.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.511 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.28 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.503 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.287 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.0 m -74.28 -52.16 13.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.512 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.24 -42.35 99.24 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.522 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.746 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.53 -37.91 89.19 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.612 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.287 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.6 -32.47 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.519 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.56 -32.78 64.25 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.746 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.9 m-85 -65.32 -46.42 80.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.52 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.94 79.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.897 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.4 -42.98 99.84 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.591 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.83 -46.34 75.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.484 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.764 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.98 -49.77 54.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.58 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.56 -49.04 84.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.512 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.8 -42.27 77.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.559 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.202 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.3 t -73.64 -47.54 44.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.461 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.243 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.6 mt -61.82 -51.6 70.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.458 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.331 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.7 t -74.65 -48.08 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.83 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.67 -52.75 6.98 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.202 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.98 -54.94 9.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.243 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.5 m -63.66 -55.04 26.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.414 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.331 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.75 -37.22 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.457 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.83 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.65 -47.33 62.44 Favored Glycine 0 N--CA 1.461 0.36 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.967 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.13 -42.68 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.941 0.401 . . . . 0.0 110.61 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.53 -45.3 81.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.431 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.553 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.2 tp -54.89 -33.8 62.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.463 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.957 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.65 -44.51 96.83 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.511 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.015 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.68 -43.37 69.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.647 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.05 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.28 -45.34 48.24 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.55 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.94 -42.65 57.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.472 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.957 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.91 -44.01 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.482 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.015 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.88 -42.67 57.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.401 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.05 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.85 -40.62 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.593 -0.73 . . . . 0.0 . 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.852 0.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.67 -37.75 73.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.556 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.51 -44.85 62.69 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.5 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.781 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.49 -34.04 67.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.95 -46.88 70.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.515 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.7 -42.79 60.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.56 -38.23 68.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.512 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.781 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 48.4 t -65.02 -45.04 87.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.473 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.07 -47.75 76.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.532 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.986 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.59 -41.21 69.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.541 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.59 -48.61 38.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.409 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.57 -54.17 49.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.471 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.92 -30.24 67.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.512 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.243 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.9 m -74.27 -52.24 12.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.468 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.28 -42.23 99.17 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.54 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.775 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.2 ttp -64.76 -37.76 88.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.605 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.243 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.67 -32.39 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.517 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.66 -32.84 63.93 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.775 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.23 -46.43 80.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.537 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.79 -48.93 79.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.495 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.904 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.36 -43.05 99.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.508 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.652 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.84 -46.35 75.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.758 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.8 ttp -68.96 -49.85 54.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.566 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.39 -49.02 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.591 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.8 t -56.98 -42.26 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.46 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.201 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.58 -47.52 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.284 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.96 -51.42 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.459 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.349 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.71 -48.11 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.478 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.68 -52.71 6.99 Favored Glycine 0 N--CA 1.461 0.322 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.201 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.93 -54.94 9.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.869 0.366 . . . . 0.0 110.592 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.284 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.62 -55.05 26.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.447 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.349 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.08 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.582 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.28 62.12 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.978 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -58.98 -42.76 87.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.903 0.382 . . . . 0.0 110.646 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.46 -45.38 80.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.54 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.563 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.82 -33.78 62.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.505 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.962 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.57 96.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.464 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.002 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.39 69.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.562 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.06 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.3 -45.32 48.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.516 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.94 -42.68 57.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.962 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -43.98 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.477 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.002 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.91 -42.63 57.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.446 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.06 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.82 -40.69 60.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.423 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.653 -0.703 . . . . 0.0 . -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.218 0 CA-C-O 120.898 0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.75 -37.68 73.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.454 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.58 -44.81 62.91 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.515 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.784 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.47 -34.01 67.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.505 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.0 -46.87 70.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.7 -42.8 60.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.392 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.29 68.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.784 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.94 -45.17 86.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.86 -47.84 76.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.529 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.972 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.19 70.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.425 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.49 -48.63 39.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.529 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -56.57 -54.21 48.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.88 -30.22 67.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.532 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.271 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.7 m -74.3 -52.19 13.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.465 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.29 -42.25 99.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.749 ' HA ' ' HD2' ' A' ' 24' ' ' TYR . 66.1 ttp -64.72 -37.84 88.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.531 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.271 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.59 -32.62 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.47 -32.85 64.46 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.749 ' HD2' ' HA ' ' A' ' 21' ' ' MET . 65.8 m-85 -65.34 -46.34 80.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.531 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.87 -48.89 79.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.499 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.91 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.35 -43.08 99.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.528 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.72 -46.39 75.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.487 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.765 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 66.7 ttp -68.99 -49.8 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.6 t -63.49 -49.01 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.565 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.7 t -56.99 -42.12 78.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.53 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.191 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.6 t -73.66 -47.45 44.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.255 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.89 -51.5 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.526 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.312 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.82 -47.92 35.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.54 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.58 6.99 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.191 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.05 -54.95 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.494 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.255 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.56 -55.06 26.79 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.492 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.312 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.6 mt -73.83 -37.13 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.446 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.74 -47.25 62.4 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.988 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.5 mm -59.1 -42.77 87.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.895 0.379 . . . . 0.0 110.584 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.718 ' HE2' ' HD2' ' A' ' 44' ' ' LYS . 88.2 tttt -56.43 -45.35 80.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.541 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.85 -33.75 62.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.448 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.924 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.77 -44.41 96.93 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.51 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.011 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.72 -43.43 68.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.57 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.072 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 62.7 mtpt -74.26 -45.41 47.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.458 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.71 -42.79 57.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.573 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.924 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.02 -43.83 51.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.474 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.011 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.96 -42.64 57.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.485 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.072 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.8 -40.65 61.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.517 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.624 -0.717 . . . . 0.0 . -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 120.848 0.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.7 -37.73 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.53 -44.85 62.74 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.469 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.787 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.57 -33.89 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.518 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.04 -46.82 70.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.545 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -73.67 -42.83 60.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.452 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.48 -38.41 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.519 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.787 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.9 -45.02 87.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.506 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.05 -47.8 76.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.442 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.972 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.69 -41.12 69.84 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.526 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.56 -48.55 39.11 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.511 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.63 -54.22 48.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.97 -30.15 67.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.474 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.232 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.8 m -74.41 -52.1 13.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.484 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.38 -42.23 99.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.509 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.68 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.495 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.232 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.59 -32.42 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.449 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.79 63.93 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 92.0 t80 -65.42 -46.29 80.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.48 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.75 -48.99 79.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.501 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.909 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.39 -43.0 99.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.494 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.642 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.89 -46.4 75.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.572 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.0 -49.74 55.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.539 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.6 -48.93 84.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.504 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -57.04 -42.15 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.48 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.227 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.62 -47.57 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.534 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.237 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.71 -51.49 72.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.632 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.35 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.78 -48.07 35.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.516 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.842 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.66 -52.64 7.07 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.227 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.03 -54.92 9.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.931 0.396 . . . . 0.0 110.528 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.237 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.58 -55.06 26.75 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.466 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.35 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.79 -37.15 48.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.394 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.842 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.27 62.23 Favored Glycine 0 N--CA 1.461 0.311 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.991 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.13 -42.68 87.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.876 0.369 . . . . 0.0 110.578 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.44 -45.38 80.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.525 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.564 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.9 -33.77 62.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.501 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.963 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.9 m-30 -61.63 -44.54 96.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.469 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.016 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.63 -43.49 69.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.612 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.076 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.21 -45.35 48.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.565 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.95 -42.59 57.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.541 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.963 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.98 -43.95 51.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.436 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.016 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.94 -42.69 57.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.365 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.076 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.85 -40.64 60.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.432 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.652 -0.704 . . . . 0.0 . -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 120.916 0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.64 -37.91 73.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.25 -44.9 61.85 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.558 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.79 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.58 -33.92 67.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.468 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -46.88 69.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.65 -42.76 60.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.464 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.52 -38.35 68.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.554 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.79 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.92 -45.01 87.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 tp -65.05 -47.75 76.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.537 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.962 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.12 70.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.45 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 -48.62 38.09 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.489 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.46 -54.32 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.1 67.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.567 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.281 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.1 m -74.39 -52.13 13.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.33 -42.29 99.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.564 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.61 -37.87 89.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.586 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.281 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.61 -32.46 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.437 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.6 -32.84 64.09 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.32 -46.37 80.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.525 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.83 -48.85 80.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.534 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.909 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.499 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.649 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.76 -46.38 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.48 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.562 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.01 -49.75 54.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.545 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.9 t -63.58 -48.93 84.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.554 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.99 -42.15 78.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.212 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.64 -47.48 44.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.575 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.258 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.91 -51.46 72.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.477 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.28 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.8 t -74.85 -47.94 35.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.84 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.78 -52.64 6.95 Favored Glycine 0 N--CA 1.462 0.384 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.212 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.05 -54.95 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.494 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.258 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 96.9 m -63.67 -55.0 26.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.441 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.28 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.78 -37.25 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.45 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.84 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.69 -47.18 63.06 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.976 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.1 -42.75 87.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.881 0.372 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.48 -45.34 80.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.563 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.567 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.93 -33.78 62.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.345 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.95 ' O ' ' HB ' ' A' ' 46' ' ' THR . 13.8 m-30 -61.69 -44.44 96.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.014 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.69 -43.42 69.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.614 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.076 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.38 -45.33 47.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.84 -42.69 57.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.54 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.95 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.8 m -74.91 -43.97 51.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.477 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.014 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.88 -42.66 57.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.466 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.076 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.81 -40.68 60.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.501 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.618 -0.719 . . . . 0.0 . 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.139 0 CA-C-O 120.832 0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.82 -37.68 73.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.45 -44.92 62.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.513 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.784 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.52 -33.98 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.483 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.85 70.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.571 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.69 -42.67 60.95 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.55 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.62 -38.36 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.413 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.784 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.6 t -64.89 -45.08 87.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.505 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.78 76.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.482 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.974 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.71 -41.09 69.88 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.557 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.58 38.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.56 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.57 -54.23 48.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.481 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.83 -30.3 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.511 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.329 ' O ' HG22 ' A' ' 22' ' ' ILE . 99.0 m -74.28 -52.11 13.28 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.532 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.28 -42.34 99.26 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.52 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.55 -37.88 89.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.63 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.329 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.64 -32.42 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.59 -32.78 64.18 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.32 -46.42 80.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.406 . . . . 0.0 110.521 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.69 -48.97 79.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.573 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.896 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.4 -42.96 99.83 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.602 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.88 -46.33 75.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.46 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.573 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -68.97 -49.78 54.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.561 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.0 t -63.54 -49.02 84.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.527 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.9 t -56.9 -42.2 78.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.537 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.176 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.65 -47.57 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.437 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.24 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.81 -51.61 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.43 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.327 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.66 -48.1 35.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.469 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.827 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.65 -52.77 6.98 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.176 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.96 -54.89 9.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.512 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.24 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.72 -55.03 26.43 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.327 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.72 -37.25 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.485 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.827 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.6 -47.32 62.73 Favored Glycine 0 N--CA 1.461 0.344 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.974 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.15 -42.71 87.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 110.588 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.47 -45.36 80.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.437 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.84 -33.79 62.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.508 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.95 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.68 -44.54 96.76 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.493 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.022 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.65 -43.36 69.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.643 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.046 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.31 -45.35 48.0 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.554 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.9 -42.67 57.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.487 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.95 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 99.9 m -74.9 -44.0 51.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.022 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.68 57.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.376 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.046 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.83 -40.65 60.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.595 -0.729 . . . . 0.0 . 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.878 0.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.61 -37.83 73.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.532 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.48 -44.85 62.58 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.782 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.48 -34.0 67.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.569 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.98 -46.87 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.504 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.66 -42.85 60.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.363 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.54 -38.17 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.543 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.782 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 48.4 t -65.07 -45.06 86.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.426 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -65.06 -47.76 76.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.514 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.987 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.5 tt0 -54.58 -41.24 69.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.51 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 -48.6 38.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.404 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.62 -54.15 49.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.44 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.28 67.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.525 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.315 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.5 m -74.27 -52.2 13.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.473 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.21 99.18 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.566 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.76 -37.76 88.7 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.634 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.315 HG22 ' O ' ' A' ' 19' ' ' THR . 18.5 tt -57.7 -32.35 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.539 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.68 -32.78 63.92 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.26 -46.42 80.59 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.97 0.414 . . . . 0.0 110.526 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.81 -48.92 79.74 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.477 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.884 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.5 t-105 -62.38 -43.02 99.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.513 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.85 -46.32 75.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.57 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -69.0 -49.84 54.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.56 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 25' ' ' ALA . 67.8 t -63.38 -49.06 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.598 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.5 t -56.94 -42.29 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.486 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.205 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.8 t -73.52 -47.52 44.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.572 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.267 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.98 -51.41 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.427 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.352 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.3 t -74.7 -48.12 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.496 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.72 -52.66 7.0 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.205 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -70.94 -54.98 9.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.895 0.379 . . . . 0.0 110.607 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.267 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.7 m -63.57 -55.07 26.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.44 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.352 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.8 -37.11 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.553 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.67 -47.32 62.34 Favored Glycine 0 C--N 1.331 0.279 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.975 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.2 mm -59.0 -42.73 87.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.878 0.37 . . . . 0.0 110.632 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.49 -45.4 81.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.519 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.1 tp -54.77 -33.82 61.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.513 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.969 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.2 t80 -61.64 -44.58 96.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.425 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 1.007 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.67 -43.42 69.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.57 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.054 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.3 mmtt -74.29 -45.35 48.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.517 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.6 t80 -74.88 -42.7 57.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.469 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.969 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 100.0 m -74.9 -43.98 51.32 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 1.007 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.5 t -74.9 -42.66 57.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.431 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.054 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.83 -40.68 60.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.398 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.644 -0.707 . . . . 0.0 . -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.897 0.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.84 -37.6 73.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.43 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -51.62 -44.81 63.03 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.487 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.783 ' O ' ' CB ' ' A' ' 13' ' ' SER . . . -72.45 -34.01 67.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.506 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.88 70.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.52 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.72 -42.77 60.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.412 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -72.53 -38.27 68.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.586 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.783 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 47.5 t -64.92 -45.17 86.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.441 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.82 -47.86 76.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.564 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.977 ' O ' ' OG1' ' A' ' 19' ' ' THR . 65.6 tt0 -54.76 -41.17 70.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.458 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.47 -48.65 39.15 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -56.56 -54.24 48.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.433 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.21 67.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.557 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.252 ' O ' HG22 ' A' ' 22' ' ' ILE . 98.4 m -74.31 -52.15 13.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.31 -42.26 99.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.531 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.2 ttp -64.75 -37.8 88.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.531 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.252 HG22 ' O ' ' A' ' 19' ' ' THR . 18.6 tt -57.6 -32.66 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.4 -32.85 64.63 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 28' ' ' MET . 91.9 t80 -65.37 -46.35 80.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.503 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.87 -48.86 79.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.529 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.895 ' O ' HG23 ' A' ' 30' ' ' VAL . 76.4 t-105 -62.32 -43.14 99.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.533 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -66.68 -46.45 75.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.464 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.579 ' O ' HG13 ' A' ' 32' ' ' ILE . 98.7 mmm -68.92 -49.84 54.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.596 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 25' ' ' ALA . 68.3 t -63.47 -49.05 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.525 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 26' ' ' TRP . 66.6 t -56.96 -42.14 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.516 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.23 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 79.5 t -73.69 -47.43 44.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.509 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.275 ' O ' ' HB ' ' A' ' 36' ' ' THR . 96.7 mt -61.88 -51.51 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.529 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.291 ' O ' ' HB ' ' A' ' 37' ' ' ILE . 79.6 t -74.77 -47.96 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.564 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.849 ' O ' ' HA3' ' A' ' 38' ' ' GLY . . . -74.79 -52.57 7.01 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.23 ' HB3' ' O ' ' A' ' 31' ' ' VAL . . . -71.08 -54.9 9.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.49 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 1.275 ' HB ' ' O ' ' A' ' 32' ' ' ILE . 97.6 m -63.63 -55.02 26.84 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.488 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.291 ' HB ' ' O ' ' A' ' 33' ' ' VAL . 96.7 mt -73.85 -37.12 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.446 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.849 ' HA3' ' O ' ' A' ' 34' ' ' GLY . . . -67.75 -47.28 62.2 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.994 HG12 ' O ' ' A' ' 35' ' ' ALA . 31.4 mm -59.07 -42.8 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.917 0.389 . . . . 0.0 110.559 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.46 -45.32 80.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 45' ' ' PHE . 39.0 tp -54.79 -33.79 61.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.467 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.941 ' O ' ' HB ' ' A' ' 46' ' ' THR . 90.3 t80 -61.75 -44.44 96.9 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.535 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.997 ' O ' ' HB3' ' A' ' 47' ' ' SER . 98.1 mttt -70.7 -43.43 69.02 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.612 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.051 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 73.4 mmtt -74.26 -45.36 48.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.489 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 88.7 t80 -74.79 -42.74 57.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.558 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.941 ' HB ' ' O ' ' A' ' 42' ' ' PHE . 94.4 m -75.09 -43.8 50.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.45 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.997 ' HB3' ' O ' ' A' ' 43' ' ' LYS . 48.4 t -74.92 -42.67 57.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.495 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.051 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 73.5 mmtt -74.79 -40.69 60.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.482 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 115.658 -0.701 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 stop_ save_