data_1wbr_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 1wbr _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.444 ' HB2' ' CE ' ' A' ' 407' ' ' MET . . . -66.83 156.47 35.53 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 113.152 -1.84 . . . . 0.0 109.34 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.33 34.2 0.57 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 175.221 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.86 -70.01 0.81 Allowed 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.939 -1.101 . . . . 0.0 111.704 -174.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.444 ' CE ' ' HB2' ' A' ' 404' ' ' ALA . 0.5 OUTLIER -61.67 -28.35 69.33 Favored 'General case' 0 N--CA 1.516 2.875 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.155 -179.433 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.513 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 1.9 t -79.46 -34.31 41.62 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 177.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.514 ' HA ' ' CG ' ' A' ' 412' ' ' ARG . 17.6 tt0 -54.21 -43.15 70.53 Favored 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 123.171 0.588 . . . . 0.0 111.024 178.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.8 mt -60.53 -26.92 39.04 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.01 -4.88 42.36 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.514 ' CG ' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -91.87 22.98 3.88 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 119.477 1.035 . . . . 0.0 110.849 178.672 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.08 -23.47 63.82 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.194 -0.941 . . . . 0.0 110.38 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.7 -18.11 56.94 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.74 0.416 . . . . 0.0 110.748 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.73 154.57 36.35 Favored 'General case' 0 N--CA 1.507 2.396 0 CA-C-N 119.142 0.883 . . . . 0.0 110.54 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.56 -72.24 0.06 Allowed 'General case' 0 N--CA 1.515 2.787 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.39 91.19 2.36 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 119.389 0.995 . . . . 0.0 110.362 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.32 0 O-C-N 121.566 -0.709 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 N--CA 1.504 2.27 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.261 . . -57.75 164.14 2.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 113.044 -1.889 . . . . 0.0 112.005 177.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.03 31.99 0.54 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 173.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . 0.423 ' O ' HG13 ' A' ' 410' ' ' ILE . 0.0 OUTLIER -98.38 -51.01 4.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.873 -1.142 . . . . 0.0 108.828 -177.401 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -27.68 69.51 Favored 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 176.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 1.6 t -68.07 -49.03 63.86 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.6 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 2.6 tt0 -52.65 -48.66 66.3 Favored 'General case' 0 N--CA 1.51 2.555 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.771 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 406' ' ' ARG . 8.5 mt -66.51 -41.71 88.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.466 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -96.08 27.75 3.5 Favored 'General case' 0 N--CA 1.508 2.434 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.6 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -66.39 -16.64 64.24 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.861 -1.149 . . . . 0.0 111.507 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.6 mt -60.42 -31.33 70.3 Favored 'General case' 0 N--CA 1.51 2.555 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 175.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -29.09 21.36 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.428 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 42.9 m -57.69 107.42 0.45 Allowed 'General case' 0 N--CA 1.505 2.322 0 CA-C-N 118.98 0.809 . . . . 0.0 109.906 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.85 88.91 5.24 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.576 -0.703 . . . . 0.0 109.354 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.94 67.28 9.75 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 121.598 0.713 . . . . 0.0 110.441 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 . . . . . 0 N--CA 1.505 2.3 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.271 . . -79.55 154.5 28.74 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-N 111.878 -2.419 . . . . 0.0 107.446 175.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 407' ' ' MET . 1.6 pm0 -66.73 118.62 10.53 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 101.737 -3.431 . . . . 0.0 101.737 171.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.06 68.59 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.34 0 CA-C-O 121.474 0.654 . . . . 0.0 112.758 -175.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -90.71 -33.59 15.72 Favored 'General case' 0 N--CA 1.515 2.821 0 O-C-N 121.346 -0.846 . . . . 0.0 109.978 178.61 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 33.4 t -85.79 -27.46 25.15 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.467 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 1.6 tp-100 -54.75 -40.25 69.14 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 123.395 0.678 . . . . 0.0 110.539 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.8 mt -72.18 -48.8 47.26 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.906 0 CA-C-O 120.967 0.413 . . . . 0.0 109.924 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 34.76 1.49 Allowed 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.205 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.472 ' HA ' ' HB2' ' A' ' 415' ' ' SER . 8.8 mtm105 -63.58 -27.35 69.19 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.967 -1.083 . . . . 0.0 109.546 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.93 -33.6 68.98 Favored 'General case' 0 N--CA 1.509 2.521 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.47 -44.93 10.35 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.179 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' SER . . . . . 0.472 ' HB2' ' HA ' ' A' ' 412' ' ' ARG . 2.9 m -55.84 -35.43 66.4 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.893 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.84 -31.24 48.67 Favored 'General case' 0 N--CA 1.508 2.468 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.768 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 33.89 3.6 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.444 -0.785 . . . . 0.0 110.105 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 418' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.5 2.074 0 O-C-N 121.167 -0.958 . . . . 0.0 109.918 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 N--CA 1.503 2.177 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.288 . . -64.37 161.6 16.6 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.551 -1.658 . . . . 0.0 111.371 177.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.78 33.63 0.59 Allowed 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.75 -50.69 5.77 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.062 -1.024 . . . . 0.0 108.285 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -65.5 -27.33 68.4 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.413 176.268 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 412' ' ' ARG . 1.2 t -76.28 -42.61 44.91 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.44 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 11.6 tt0 -51.13 -29.77 14.49 Favored 'General case' 0 N--CA 1.516 2.87 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -71.86 -46.04 62.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . 0.472 ' HD3' ' C ' ' A' ' 411' ' ' LYS . 0.1 OUTLIER -96.54 12.22 32.34 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 122.872 0.469 . . . . 0.0 111.926 -179.082 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.44 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -70.5 2.21 4.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.237 -1.539 . . . . 0.0 113.044 -179.587 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.13 -41.55 79.27 Favored 'General case' 0 N--CA 1.515 2.795 0 CA-C-N 119.102 0.864 . . . . 0.0 109.711 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -21.46 32.94 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.253 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.9 m -70.87 -172.73 0.69 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.422 -0.798 . . . . 0.0 110.441 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -47.2 -45.77 23.45 Favored 'General case' 0 N--CA 1.52 3.033 0 O-C-N 121.192 -0.942 . . . . 0.0 111.186 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 417' ' ' LYS . 0.3 OUTLIER 35.5 81.56 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.372 0 C-N-CA 124.785 1.234 . . . . 0.0 109.878 177.642 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm . . . . . 0 N--CA 1.486 1.326 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.002 -175.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.506 2.348 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.28 . . -51.98 162.2 0.49 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.033 -1.894 . . . . 0.0 111.756 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -85.12 32.57 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 406' ' ' ARG . 6.7 tpt85 -97.03 -46.8 6.04 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.928 -1.107 . . . . 0.0 109.322 -177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -29.15 69.55 Favored 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.523 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 21.8 t -76.81 -11.17 59.79 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.396 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -109.18 7.62 25.54 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.9 mt -76.26 -105.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.367 -0.833 . . . . 0.0 110.643 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.51 44.54 0.9 Allowed 'General case' 0 N--CA 1.518 2.97 0 O-C-N 120.997 -1.064 . . . . 0.0 111.029 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.523 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -97.32 3.84 51.04 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.248 -0.908 . . . . 0.0 112.596 -179.453 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.58 -46.34 9.64 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -38.18 65.77 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.902 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.33 153.67 37.69 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-O 121.369 0.604 . . . . 0.0 110.809 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.73 28.68 8.58 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.956 -0.465 . . . . 0.0 110.657 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . 0.476 ' HE2' ' HB2' ' A' ' 417' ' ' LYS . 1.3 mppt? -101.9 58.26 0.83 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.259 -0.901 . . . . 0.0 109.666 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.296 0 O-C-N 121.567 -0.708 . . . . 0.0 109.848 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 N--CA 1.504 2.249 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -61.31 166.87 3.54 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.393 -1.73 . . . . 0.0 109.299 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.4 tp10 -84.13 21.01 1.44 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.16 -0.963 . . . . 0.0 109.448 175.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -105.55 -66.02 1.01 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.387 -0.821 . . . . 0.0 109.977 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.414 ' HB2' ' HE2' ' A' ' 407' ' ' MET . 3.7 mtm -66.34 -26.37 67.26 Favored 'General case' 0 N--CA 1.513 2.716 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.312 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.443 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -89.6 8.81 29.45 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.425 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.484 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 13.9 tt0 -102.94 -45.37 4.98 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-O 121.446 0.641 . . . . 0.0 110.924 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.8 mt -64.42 -45.87 94.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.266 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.1 33.94 1.46 Allowed 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.483 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.484 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 1.5 mtp85 -69.91 -25.97 63.94 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.893 -1.129 . . . . 0.0 109.474 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.87 -43.48 95.93 Favored 'General case' 0 N--CA 1.509 2.483 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 177.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.71 -35.52 65.14 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.756 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 44.5 m -59.97 111.4 1.47 Allowed 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 114.47 6.7 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.874 -0.517 . . . . 0.0 109.998 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . 0.466 ' O ' ' HD2' ' A' ' 417' ' ' LYS . 0.0 OUTLIER 57.77 91.21 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 121.963 0.887 . . . . 0.0 108.912 179.417 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.477 ' HB3' ' HE2' ' A' ' 418' ' ' LYS . 4.6 ttpt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 122.238 1.018 . . . . 0.0 110.303 -177.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.503 2.177 0 N-CA-C 104.676 -2.342 . . . . 0.0 104.676 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.483 ' HB2' ' CE ' ' A' ' 407' ' ' MET . . . -68.91 149.24 49.1 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.112 -1.858 . . . . 0.0 107.705 175.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.1 pm0 -84.18 32.44 0.49 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.089 -1.007 . . . . 0.0 108.468 175.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -104.4 -60.6 1.57 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.312 -0.868 . . . . 0.0 110.396 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.483 ' CE ' ' HB2' ' A' ' 404' ' ' ALA . 1.4 ptp -63.89 -34.49 78.05 Favored 'General case' 0 N--CA 1.515 2.803 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.556 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 11.7 t -75.21 -4.67 40.29 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.8 OUTLIER -109.03 2.97 21.61 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -177.241 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.5 mt -77.14 -112.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.596 -0.69 . . . . 0.0 109.833 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -76.45 46.31 0.42 Allowed 'General case' 0 N--CA 1.527 3.417 0 CA-C-N 119.748 1.158 . . . . 0.0 111.924 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.556 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.97 -5.15 31.08 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.082 -1.011 . . . . 0.0 112.684 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -48.87 33.34 Favored 'General case' 0 N--CA 1.511 2.579 0 CA-C-O 121.582 0.706 . . . . 0.0 109.62 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -36.48 80.68 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.786 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.7 t -79.39 175.87 10.21 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.784 0.802 . . . . 0.0 111.122 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.92 40.26 0.39 Allowed 'General case' 0 N--CA 1.513 2.721 0 O-C-N 121.631 -0.668 . . . . 0.0 112.496 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.48 77.73 1.57 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.402 -1.436 . . . . 0.0 110.773 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.244 0 O-C-N 121.588 -0.695 . . . . 0.0 109.686 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 4.6 pm0 . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 403' ' ' GLN . . . -74.93 149.45 39.41 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 113.228 -1.805 . . . . 0.0 108.363 176.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.7 mm-40 -84.09 35.1 0.52 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 174.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -102.46 -59.57 1.68 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.23 -0.919 . . . . 0.0 109.856 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.8 ptp -67.38 -33.08 74.47 Favored 'General case' 0 N--CA 1.513 2.696 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.549 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 29.4 t -68.75 -10.93 59.38 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.8 OUTLIER -108.44 7.38 26.95 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -177.201 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . 0.407 HG21 ' HD2' ' A' ' 411' ' ' LYS . 7.2 mt -75.66 -103.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.512 -0.743 . . . . 0.0 110.578 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . 0.407 ' HD2' HG21 ' A' ' 410' ' ' ILE . 11.1 mptt -83.67 43.24 0.89 Allowed 'General case' 0 N--CA 1.517 2.891 0 O-C-N 120.985 -1.072 . . . . 0.0 110.343 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.549 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -99.02 12.4 36.13 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.342 -0.849 . . . . 0.0 112.447 -178.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.39 18.06 8.97 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.587 -0.695 . . . . 0.0 109.844 178.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -48.57 4.61 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.34 -0.85 . . . . 0.0 110.842 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.2 t -86.77 178.93 6.86 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-O 121.459 0.647 . . . . 0.0 111.771 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.13 27.28 7.85 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 121.817 -0.552 . . . . 0.0 111.283 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . 0.409 ' HB2' ' HE2' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -113.08 118.65 35.35 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -179.725 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 418' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.987 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.958 -176.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 N--CA 1.504 2.236 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -77.97 156.47 30.19 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 113.745 -1.57 . . . . 0.0 108.165 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.1 tm-20 -83.92 29.3 0.55 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.0 -1.063 . . . . 0.0 108.521 175.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -99.37 -55.47 2.67 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.128 -0.982 . . . . 0.0 109.027 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -66.73 -31.22 71.73 Favored 'General case' 0 N--CA 1.515 2.8 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 37.1 t -81.62 2.12 30.86 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.64 177.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.478 ' HA ' ' CD ' ' A' ' 412' ' ' ARG . 1.1 tm0? -101.94 -22.4 14.32 Favored 'General case' 0 N--CA 1.508 2.433 0 O-C-N 121.596 -0.69 . . . . 0.0 111.737 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 410' ' ' ILE . 5.5 mt -90.63 -51.9 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 CA-C-O 121.202 0.525 . . . . 0.0 110.046 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 32.46 1.66 Allowed 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.202 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 409' ' ' GLN . 7.5 mtp180 -62.94 -29.2 70.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.247 -0.908 . . . . 0.0 109.197 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.3 mt -57.08 -36.96 71.2 Favored 'General case' 0 N--CA 1.515 2.798 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.28 -38.27 17.7 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.098 178.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.3 83.43 3.75 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.515 0.674 . . . . 0.0 109.421 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -82.71 69.64 9.54 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.97 67.99 9.95 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.746 -0.596 . . . . 0.0 109.674 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 . . . . . 0 N--CA 1.502 2.141 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.462 ' HB2' ' CE ' ' A' ' 407' ' ' MET . . . -66.13 153.25 42.86 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.36 -1.746 . . . . 0.0 108.467 175.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -83.82 31.4 0.48 Allowed 'General case' 0 N--CA 1.509 2.482 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 174.514 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 406' ' ' ARG . 0.0 OUTLIER -106.93 -65.56 1.08 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.345 -0.847 . . . . 0.0 112.076 -174.516 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.462 ' CE ' ' HB2' ' A' ' 404' ' ' ALA . 1.5 ptp -63.55 -29.96 71.15 Favored 'General case' 0 N--CA 1.514 2.729 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.086 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.469 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.5 t -89.78 12.7 16.34 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.454 ' CA ' ' HG3' ' A' ' 412' ' ' ARG . 6.8 tp-100 -107.11 -49.85 3.2 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.906 0.86 . . . . 0.0 110.29 -177.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.5 mt -68.1 -43.54 85.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.261 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 28.65 2.61 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.149 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 408' ' ' SER . 0.3 OUTLIER -62.77 -22.89 66.92 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.295 -0.878 . . . . 0.0 110.938 178.268 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.1 mt -60.91 -38.25 85.07 Favored 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -41.84 13.4 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.5 90.97 3.31 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.607 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -77.25 83.71 3.71 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.39 41.32 2.84 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.479 ' HE3' ' HB3' ' A' ' 418' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.248 0 O-C-N 121.363 -0.836 . . . . 0.0 111.456 -179.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 N--CA 1.503 2.224 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -61.58 159.41 13.17 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.373 -1.74 . . . . 0.0 108.363 175.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 22.5 mm-40 -83.7 24.71 0.84 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.986 -1.071 . . . . 0.0 109.874 176.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -103.79 -64.23 1.12 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.413 -0.804 . . . . 0.0 109.216 -177.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -66.23 -43.02 87.81 Favored 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.42 ' CB ' ' HG3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -60.75 -35.54 76.64 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.082 176.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 4.3 tp-100 -50.68 -24.22 3.21 Favored 'General case' 0 N--CA 1.516 2.864 0 O-C-N 121.533 -0.729 . . . . 0.0 111.764 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -88.58 -60.53 2.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 O-C-N 122.034 -0.416 . . . . 0.0 110.156 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.35 22.44 12.52 Favored 'General case' 0 N--CA 1.521 3.084 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.469 ' HD3' ' HA ' ' A' ' 409' ' ' GLN . 13.1 mtp180 -59.21 -22.89 61.74 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.895 -1.128 . . . . 0.0 110.841 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.3 mt -57.68 -28.96 64.27 Favored 'General case' 0 N--CA 1.508 2.462 0 CA-C-O 120.813 0.339 . . . . 0.0 110.156 178.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -98.75 8.28 45.13 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.699 0.399 . . . . 0.0 111.637 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.55 78.11 7.31 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.853 -1.154 . . . . 0.0 109.824 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -29.09 36.68 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 121.961 -0.462 . . . . 0.0 111.166 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -121.52 36.42 4.62 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.508 -0.745 . . . . 0.0 110.706 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt . . . . . 0 N--CA 1.508 2.439 0 O-C-N 121.284 -0.885 . . . . 0.0 110.751 179.075 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 N--CA 1.503 2.222 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -72.26 151.39 42.86 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.082 -1.872 . . . . 0.0 107.935 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -84.75 30.71 0.55 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.943 -1.098 . . . . 0.0 108.571 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -106.41 -65.7 1.06 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.137 -0.977 . . . . 0.0 111.883 -174.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -59.68 -37.34 78.53 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.526 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 25.9 t -69.7 -37.17 76.48 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.531 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 44.2 tt0 -53.09 -29.96 33.53 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 122.732 0.413 . . . . 0.0 111.527 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . 0.419 HD11 HG22 ' A' ' 410' ' ' ILE . 6.7 mt -72.98 -29.01 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 122.26 -0.275 . . . . 0.0 111.207 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -94.72 -4.74 46.91 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.531 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -89.96 23.49 2.76 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.003 -1.061 . . . . 0.0 110.596 178.694 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.88 -21.76 61.45 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 121.134 -0.979 . . . . 0.0 110.543 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.67 -19.38 45.36 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 122.739 0.416 . . . . 0.0 110.612 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.55 89.2 2.72 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 119.222 0.919 . . . . 0.0 109.221 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.44 90.49 0.98 Allowed 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . 0.459 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.2 OUTLIER 56.58 74.92 0.38 Allowed 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 122.258 1.028 . . . . 0.0 108.502 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.364 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . 0.406 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 2.7 pm0 . . . . . 0 N--CA 1.5 2.062 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.406 ' N ' ' HG2' ' A' ' 403' ' ' GLN 0.254 . . -83.38 157.21 22.61 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 113.615 -1.63 . . . . 0.0 109.31 178.104 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.08 36.49 0.63 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 174.308 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.22 -58.78 1.81 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.0 108.86 -176.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -67.78 -29.44 68.64 Favored 'General case' 0 N--CA 1.512 2.664 0 CA-C-N 115.089 -0.959 . . . . 0.0 108.696 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.551 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 47.1 t -84.25 5.91 24.81 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.034 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.48 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 57.3 tt0 -100.99 -14.78 17.72 Favored 'General case' 0 N--CA 1.509 2.514 0 C-N-CA 123.538 0.735 . . . . 0.0 111.122 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.4 mt -88.1 -51.04 13.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 O-C-N 121.762 -0.586 . . . . 0.0 109.641 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.11 30.82 2.04 Favored 'General case' 0 N--CA 1.511 2.58 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.825 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -60.97 -29.36 69.62 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.101 -0.999 . . . . 0.0 109.367 178.072 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.86 -37.68 71.64 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-O 121.58 0.705 . . . . 0.0 109.27 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.57 -34.57 15.45 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.027 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.4 t -80.25 58.52 3.08 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.619 -0.676 . . . . 0.0 111.03 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.72 -17.75 57.28 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.794 -0.567 . . . . 0.0 111.319 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.12 38.41 2.55 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.502 2.157 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 . . . . . 0 N--CA 1.503 2.22 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -69.91 162.82 27.25 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.245 176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.9 OUTLIER -82.59 23.6 0.77 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.889 -1.132 . . . . 0.0 108.795 174.757 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.98 -70.07 0.81 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.979 -1.075 . . . . 0.0 111.509 -175.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 7.2 mtm -58.35 -42.5 87.03 Favored 'General case' 0 N--CA 1.514 2.753 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.201 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 32.1 t -66.01 -38.42 88.4 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.604 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 18.8 tt0 -52.31 -29.14 21.96 Favored 'General case' 0 N--CA 1.513 2.694 0 C-N-CA 122.78 0.432 . . . . 0.0 111.925 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.28 -26.07 22.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 122.244 -0.285 . . . . 0.0 110.608 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 411' ' ' LYS . 0.0 OUTLIER -96.55 -21.42 17.69 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 122.69 0.396 . . . . 0.0 111.99 -179.265 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.604 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -85.93 18.84 2.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.459 -0.775 . . . . 0.0 112.009 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 6.0 mt -55.04 -35.81 64.86 Favored 'General case' 0 N--CA 1.522 3.138 0 O-C-N 121.342 -0.849 . . . . 0.0 109.953 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.47 -9.87 38.64 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 123.294 0.638 . . . . 0.0 112.372 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 67.3 m -71.96 85.14 0.98 Allowed 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 119.236 0.925 . . . . 0.0 109.522 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.26 -48.89 71.68 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.746 -0.596 . . . . 0.0 109.697 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -139.39 75.1 1.5 Allowed 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.519 0.676 . . . . 0.0 109.353 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.504 2.268 0 O-C-N 121.654 -0.654 . . . . 0.0 110.542 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 N--CA 1.504 2.236 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -68.39 168.67 12.14 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.424 -1.717 . . . . 0.0 108.583 176.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.25 13.04 3.75 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.334 -0.854 . . . . 0.0 109.537 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -104.21 -60.13 1.63 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.159 -0.963 . . . . 0.0 110.873 -175.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -67.15 -36.35 81.64 Favored 'General case' 0 N--CA 1.509 2.49 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.415 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 0.3 OUTLIER -70.88 -4.27 23.49 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.788 176.353 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -96.68 -28.72 14.19 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.842 -0.537 . . . . 0.0 109.898 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 2.4 mt -94.79 -50.66 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.6 27.94 2.83 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.035 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -57.46 -26.14 60.77 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.164 -0.96 . . . . 0.0 110.331 178.391 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.18 -37.66 69.9 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-O 121.577 0.704 . . . . 0.0 109.429 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.91 -30.32 12.44 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.028 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.58 -55.34 4.72 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.475 -0.765 . . . . 0.0 112.567 -177.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.54 -45.46 11.76 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.984 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.34 69.12 10.44 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.403 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.501 2.103 0 O-C-N 121.58 -0.7 . . . . 0.0 110.647 -178.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 N--CA 1.505 2.302 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.273 . . -53.2 160.64 1.04 Allowed 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.448 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.5 32.61 0.57 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -95.64 -46.94 6.42 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.149 -0.97 . . . . 0.0 109.051 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -29.83 69.04 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 175.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.543 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 20.4 t -74.63 -9.12 58.26 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 122.693 0.397 . . . . 0.0 110.303 176.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -109.0 6.75 25.43 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.4 mt -77.67 -114.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.454 -0.779 . . . . 0.0 110.121 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.42 45.13 0.37 Allowed 'General case' 0 N--CA 1.524 3.273 0 CA-C-N 119.675 1.125 . . . . 0.0 112.401 -179.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.543 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -94.96 -10.15 31.89 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.178 -0.951 . . . . 0.0 111.908 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.1 mt -66.15 -46.07 78.72 Favored 'General case' 0 N--CA 1.508 2.474 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -36.77 76.85 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.975 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.22 164.72 6.62 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.832 -0.542 . . . . 0.0 110.746 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.05 -74.47 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.558 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.547 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.8 89.02 0.08 Allowed 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 122.202 1.001 . . . . 0.0 108.421 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp . . . . . 0 N--CA 1.494 1.752 0 O-C-N 121.774 -0.579 . . . . 0.0 111.025 -177.794 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 . . . . . 0 N--CA 1.506 2.35 0 N-CA-C 105.872 -1.899 . . . . 0.0 105.872 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -61.76 158.99 14.45 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 113.262 -1.79 . . . . 0.0 108.711 176.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.5 mt-10 -83.84 28.6 0.58 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.008 -1.057 . . . . 0.0 108.843 175.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -104.99 -66.1 1.0 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.073 -1.017 . . . . 0.0 109.833 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.423 ' HE2' ' HB2' ' A' ' 407' ' ' MET . 4.8 mtm -65.56 -31.59 72.73 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.721 178.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 7.5 t -87.5 13.03 10.87 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 1.8 tt0 -100.91 -30.08 11.85 Favored 'General case' 0 N--CA 1.511 2.595 0 C-N-CA 123.384 0.674 . . . . 0.0 110.824 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.7 mt -80.18 -56.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -95.86 36.28 1.31 Allowed 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.702 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 408' ' ' SER . 6.7 mtp180 -61.73 -29.84 70.38 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.73 -1.232 . . . . 0.0 108.888 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.6 mt -54.12 -34.37 60.12 Favored 'General case' 0 N--CA 1.514 2.751 0 CA-C-O 121.701 0.762 . . . . 0.0 109.561 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.86 -32.37 13.96 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.538 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' SER . . . . . 0.48 ' HB3' ' HA ' ' A' ' 412' ' ' ARG . 8.6 t -77.49 -120.08 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 122.008 -0.432 . . . . 0.0 110.951 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -69.63 52.35 0.11 Allowed 'General case' 0 N--CA 1.514 2.752 0 O-C-N 121.274 -0.891 . . . . 0.0 112.568 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . 0.449 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -116.05 75.87 0.98 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.602 -1.311 . . . . 0.0 108.515 178.351 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 418' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.506 2.347 0 O-C-N 121.746 -0.596 . . . . 0.0 110.848 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 N--CA 1.501 2.11 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -66.99 158.51 30.74 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 113.336 -1.756 . . . . 0.0 108.995 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.43 27.9 0.57 Allowed 'General case' 0 N--CA 1.509 2.484 0 O-C-N 121.176 -0.952 . . . . 0.0 108.452 173.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -53.19 2.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.165 -0.959 . . . . 0.0 110.726 -176.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -65.45 -39.73 92.38 Favored 'General case' 0 N--CA 1.513 2.689 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.544 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 8.4 t -70.23 -2.65 13.9 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.766 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -110.27 1.47 18.61 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.0 mt -75.45 -105.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.673 -0.642 . . . . 0.0 111.264 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 43.59 0.65 Allowed 'General case' 0 N--CA 1.521 3.12 0 O-C-N 121.054 -1.028 . . . . 0.0 111.54 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.544 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -99.68 -5.84 28.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.034 -1.042 . . . . 0.0 112.85 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.18 -39.73 79.64 Favored 'General case' 0 N--CA 1.513 2.681 0 CA-C-O 121.274 0.559 . . . . 0.0 110.231 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -22.9 64.77 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 122.985 0.514 . . . . 0.0 111.99 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 7.4 t -85.94 -178.84 6.67 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.514 -0.741 . . . . 0.0 110.933 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.85 69.03 4.95 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.427 -0.796 . . . . 0.0 109.908 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 417' ' ' LYS . 13.2 ttpp -90.64 60.15 4.45 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.274 -0.891 . . . . 0.0 108.855 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.184 0 O-C-N 121.621 -0.674 . . . . 0.0 109.485 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 N--CA 1.505 2.282 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -77.19 153.1 34.44 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 113.562 -1.654 . . . . 0.0 108.14 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 10.1 mm-40 -84.23 34.11 0.51 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.96 -1.088 . . . . 0.0 108.257 174.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -100.75 -55.39 2.59 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.991 -1.068 . . . . 0.0 108.581 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -65.61 -27.85 68.7 Favored 'General case' 0 N--CA 1.509 2.512 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 175.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.489 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 22.7 t -85.35 -0.0 53.44 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.731 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.445 ' HA ' ' HG2' ' A' ' 412' ' ' ARG . 5.3 tp60 -98.94 -24.38 14.97 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.684 -0.635 . . . . 0.0 110.786 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.17 -47.81 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.52 28.74 2.84 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 408' ' ' SER . 0.1 OUTLIER -56.82 -27.13 59.59 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.199 -0.938 . . . . 0.0 110.484 178.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.5 mt -55.47 -41.01 72.35 Favored 'General case' 0 N--CA 1.515 2.786 0 CA-C-O 121.677 0.751 . . . . 0.0 109.437 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.09 -30.38 13.07 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.018 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 1.1 t -70.72 138.47 50.58 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.524 -0.735 . . . . 0.0 111.642 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -80.56 78.89 7.25 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -97.23 62.75 1.8 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 121.567 0.699 . . . . 0.0 110.662 -178.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? . . . . . 0 N--CA 1.504 2.233 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -67.85 146.11 53.99 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 113.032 -1.895 . . . . 0.0 108.507 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.06 40.4 0.82 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 174.736 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -103.7 -67.27 0.9 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.834 -1.166 . . . . 0.0 109.063 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -61.61 -33.72 74.4 Favored 'General case' 0 N--CA 1.513 2.677 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 28.1 t -76.25 -3.64 37.62 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.439 176.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -100.03 -35.57 9.66 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.671 -0.643 . . . . 0.0 110.294 179.59 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.58 -42.23 14.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.228 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -93.96 5.6 51.15 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -22.21 60.83 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.501 -0.749 . . . . 0.0 110.751 177.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.1 mt -57.46 -28.87 63.75 Favored 'General case' 0 N--CA 1.51 2.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.01 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -20.71 59.64 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.702 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 5.2 t -94.34 106.6 18.58 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.428 -0.795 . . . . 0.0 109.548 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.32 77.81 5.84 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -106.36 36.27 2.66 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.92 -0.487 . . . . 0.0 111.054 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt . . . . . 0 N--CA 1.501 2.076 0 O-C-N 121.423 -0.798 . . . . 0.0 109.747 179.324 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? . . . . . 0 N--CA 1.504 2.263 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.435 ' HB2' ' CE ' ' A' ' 407' ' ' MET . . . -68.18 157.61 35.02 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.204 -1.816 . . . . 0.0 109.017 176.476 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 10.7 tp10 -84.35 29.56 0.58 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.202 -0.936 . . . . 0.0 108.492 174.805 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -100.98 -55.19 2.62 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.316 -0.865 . . . . 0.0 109.35 -177.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.435 ' CE ' ' HB2' ' A' ' 404' ' ' ALA . 5.2 mtm -65.78 -33.27 75.48 Favored 'General case' 0 N--CA 1.513 2.725 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 177.826 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.43 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 29.2 t -72.17 -9.55 58.59 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.222 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 6.3 tt0 -111.48 10.4 21.35 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -176.758 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.1 mt -73.31 -110.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.449 -0.782 . . . . 0.0 110.76 -177.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -81.93 30.84 0.37 Allowed 'General case' 0 N--CA 1.522 3.162 0 O-C-N 120.565 -1.335 . . . . 0.0 111.776 -179.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.43 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -68.56 -24.35 64.61 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.365 -0.835 . . . . 0.0 110.655 178.321 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.53 -30.51 70.84 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.25 -51.4 5.18 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.835 0.454 . . . . 0.0 110.392 -179.416 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 2.1 m -84.48 71.75 10.7 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.414 0.626 . . . . 0.0 109.928 -178.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.75 -41.52 64.11 Favored 'General case' 0 N--CA 1.513 2.692 0 O-C-N 122.071 -0.393 . . . . 0.0 110.765 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -124.76 41.5 3.49 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.243 0.544 . . . . 0.0 110.464 -179.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.096 0 O-C-N 121.494 -0.754 . . . . 0.0 109.125 179.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 . . . . . 0 N--CA 1.505 2.281 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.467 ' HB2' ' CE ' ' A' ' 407' ' ' MET . . . -62.37 159.81 14.59 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 113.414 -1.721 . . . . 0.0 108.396 175.763 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 3.6 mt-10 -83.37 25.71 0.71 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.844 -1.16 . . . . 0.0 108.96 174.877 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . 0.5 ' HA ' ' NE ' ' A' ' 406' ' ' ARG . 7.9 tpm_? -107.56 -69.25 0.85 Allowed 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.897 -1.127 . . . . 0.0 111.847 -174.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' A' ' 404' ' ' ALA . 1.0 OUTLIER -66.24 -31.79 72.83 Favored 'General case' 0 N--CA 1.513 2.7 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.847 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.577 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -74.04 -4.13 33.56 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.035 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.6 OUTLIER -109.47 0.46 19.31 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.943 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.9 mt -74.45 -107.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.735 -0.603 . . . . 0.0 111.195 -177.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -80.91 45.81 0.85 Allowed 'General case' 0 N--CA 1.519 3.011 0 O-C-N 120.96 -1.087 . . . . 0.0 111.12 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.577 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.43 8.16 45.23 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.188 -0.945 . . . . 0.0 112.176 -179.6 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.6 9.26 27.48 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.768 -0.583 . . . . 0.0 111.0 179.056 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.4 -53.04 3.59 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.5 -0.75 . . . . 0.0 109.316 -179.855 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 7.5 t -95.9 -174.81 3.23 Favored 'General case' 0 N--CA 1.503 2.183 0 CA-C-O 121.191 0.52 . . . . 0.0 110.447 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.04 39.25 2.19 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.543 -0.723 . . . . 0.0 110.762 -179.711 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.5 74.52 0.89 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.214 -0.929 . . . . 0.0 109.066 179.61 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp . . . . . 0 N--CA 1.506 2.368 0 CA-C-O 121.97 0.891 . . . . 0.0 110.863 -179.495 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 N--CA 1.503 2.184 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.267 . . -52.4 161.4 0.67 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 112.88 -1.964 . . . . 0.0 112.005 177.39 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -85.14 32.18 0.55 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 173.198 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.28 -47.58 5.39 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.134 -0.979 . . . . 0.0 109.514 -177.795 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -30.21 70.2 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 176.63 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.555 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 8.7 t -76.41 -2.42 31.85 Favored 'General case' 0 N--CA 1.501 2.112 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 176.817 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -109.29 0.32 19.51 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.3 mt -71.99 -107.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.474 -0.766 . . . . 0.0 111.083 -178.079 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -81.53 45.47 0.88 Allowed 'General case' 0 N--CA 1.52 3.027 0 O-C-N 120.921 -1.112 . . . . 0.0 111.022 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.555 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.95 7.78 45.67 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.265 -0.897 . . . . 0.0 112.242 -179.327 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.02 12.02 16.69 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.726 -0.609 . . . . 0.0 110.532 178.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.74 -52.76 3.63 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.445 -0.784 . . . . 0.0 109.477 -179.863 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 6.1 t -94.48 173.91 7.39 Favored 'General case' 0 N--CA 1.506 2.359 0 CA-C-O 120.821 0.343 . . . . 0.0 110.988 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.27 -48.15 0.49 Allowed 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 123.52 0.728 . . . . 0.0 111.971 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.74 -46.35 1.72 Allowed 'General case' 0 N--CA 1.5 2.065 0 CA-C-N 119.191 0.905 . . . . 0.0 110.629 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp . . . . . 0 N--CA 1.504 2.227 0 C-N-CA 122.838 0.455 . . . . 0.0 110.642 179.806 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 . . . . . 0 N--CA 1.501 2.087 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -66.2 158.76 27.96 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 113.15 -1.841 . . . . 0.0 109.251 176.177 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 12.0 tp10 -84.46 29.99 0.57 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.097 -1.002 . . . . 0.0 108.68 175.092 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -103.31 -53.32 2.83 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.782 -1.199 . . . . 0.0 110.112 -176.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -66.49 -40.19 89.15 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 176.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.565 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 33.1 t -65.67 -10.74 38.95 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.261 176.181 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 5.7 tt0 -109.2 7.0 25.22 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -176.799 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.3 mt -74.36 -100.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.289 -0.882 . . . . 0.0 110.415 -178.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -84.18 38.81 0.68 Allowed 'General case' 0 N--CA 1.517 2.915 0 O-C-N 120.953 -1.092 . . . . 0.0 110.388 179.267 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.565 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.1 OUTLIER -100.83 17.36 22.31 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.246 -0.909 . . . . 0.0 112.49 -178.112 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.9 mt -82.01 15.82 2.16 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.421 -0.799 . . . . 0.0 110.922 179.184 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 414' ' ' LEU . 2.6 mm? -96.16 -52.08 4.16 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 121.271 -0.893 . . . . 0.0 109.097 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.2 t -91.6 -178.1 4.98 Favored 'General case' 0 N--CA 1.505 2.299 0 CA-C-O 121.399 0.619 . . . . 0.0 110.796 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.04 82.85 1.81 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.665 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -105.98 50.47 0.78 Allowed 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.62 -0.675 . . . . 0.0 109.704 179.75 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp . . . . . 0 N--CA 1.503 2.191 0 O-C-N 121.211 -0.93 . . . . 0.0 110.24 -179.746 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? . . . . . 0 N--CA 1.504 2.264 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.405 ' HB2' ' HE1' ' A' ' 407' ' ' MET . . . -65.44 168.55 7.1 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.215 175.22 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -82.5 15.22 2.63 Favored 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 118.928 -1.109 . . . . 0.0 109.71 175.545 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 406' ' ' ARG . 0.0 OUTLIER -104.2 -59.83 1.67 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.364 -0.835 . . . . 0.0 110.812 -176.833 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.405 ' HE1' ' HB2' ' A' ' 404' ' ' ALA . 5.7 mtm -66.08 -32.04 73.27 Favored 'General case' 0 N--CA 1.514 2.748 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.345 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.548 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -74.09 -4.19 34.06 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.859 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 33.9 tt0 -112.32 4.05 17.43 Favored 'General case' 0 N--CA 1.502 2.16 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -176.599 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . 0.406 HD11 HG22 ' A' ' 410' ' ' ILE . 8.2 mt -73.76 -109.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.187 -0.945 . . . . 0.0 111.861 -176.679 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 29.46 0.37 Allowed 'General case' 0 N--CA 1.524 3.271 0 O-C-N 120.752 -1.217 . . . . 0.0 111.191 -178.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.548 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -64.29 -19.77 65.64 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.002 -1.061 . . . . 0.0 112.065 179.321 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.08 -38.97 92.51 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -99.9 -47.77 4.91 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.015 -179.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 2.4 m -66.38 -178.67 0.69 Allowed 'General case' 0 N--CA 1.51 2.531 0 O-C-N 122.121 -0.362 . . . . 0.0 111.603 -178.755 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 4.51 -93.67 0.0 OUTLIER 'General case' 0 N--CA 1.533 3.723 0 C-N-CA 125.095 1.358 . . . . 0.0 113.661 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.31 78.85 0.25 Allowed 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 123.146 1.45 . . . . 0.0 108.142 178.686 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 418' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.406 -177.231 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -68.44 158.97 32.55 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 113.612 -1.631 . . . . 0.0 109.469 176.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.3 mt-10 -85.44 32.92 0.56 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.491 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -66.86 0.96 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.046 -1.034 . . . . 0.0 111.087 -175.404 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.402 ' HE2' ' HB2' ' A' ' 407' ' ' MET . 5.8 mtm -57.16 -44.48 83.52 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.691 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.476 ' O ' ' HG3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -62.62 -42.08 99.38 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.02 177.589 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 2.4 tp60 -51.45 -24.74 5.35 Favored 'General case' 0 N--CA 1.511 2.613 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 178.27 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 6.3 mt -81.66 -65.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 121.821 -0.55 . . . . 0.0 110.401 179.504 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.34 19.66 18.37 Favored 'General case' 0 N--CA 1.518 2.953 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.114 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 408' ' ' SER . 27.1 mtt180 -60.39 -21.39 62.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.839 -1.163 . . . . 0.0 110.902 178.187 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 413' ' ' LEU . 0.8 OUTLIER -66.93 -29.66 69.59 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 120.96 0.409 . . . . 0.0 110.346 179.1 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.92 -45.31 9.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.54 75.64 10.13 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.8 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 417' ' ' LYS . 0.8 OUTLIER -62.79 -31.59 72.6 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 121.836 -0.54 . . . . 0.0 110.956 -179.656 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' A' ' 417' ' ' LYS . 11.6 ttpp -121.17 42.07 3.16 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.63 -0.669 . . . . 0.0 109.661 179.781 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.444 0 O-C-N 121.24 -0.912 . . . . 0.0 110.509 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 . . . . . 0 N--CA 1.504 2.229 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -65.9 160.72 22.76 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.397 176.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.03 29.09 0.57 Allowed 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.36 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.08 -62.01 1.4 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.99 -1.069 . . . . 0.0 110.884 -175.676 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 6.5 mtm -59.95 -38.8 83.49 Favored 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.862 179.419 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 9.2 t -79.7 4.52 15.95 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 177.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 412' ' ' ARG . 0.9 OUTLIER -102.54 -43.67 5.57 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.647 0.737 . . . . 0.0 109.709 -179.723 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.4 mt -89.51 -45.46 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.057 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -95.55 34.66 1.44 Allowed 'General case' 0 N--CA 1.509 2.515 0 CA-C-O 120.761 0.315 . . . . 0.0 111.3 -179.288 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.44 ' HD3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -90.19 -7.4 53.7 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.024 -1.047 . . . . 0.0 111.625 178.444 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.71 -28.66 67.52 Favored 'General case' 0 N--CA 1.514 2.763 0 CA-C-N 118.302 0.501 . . . . 0.0 109.947 178.636 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.05 -15.23 62.87 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 119.449 -0.31 . . . . 0.0 110.74 178.407 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 67.8 m -57.64 126.93 29.51 Favored 'General case' 0 N--CA 1.503 2.191 0 CA-C-N 118.886 0.766 . . . . 0.0 109.705 179.389 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.77 -54.94 23.38 Favored 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -127.45 87.89 2.7 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.116 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.507 2.399 0 O-C-N 121.544 -0.723 . . . . 0.0 111.149 -178.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 . . . . . 0 N--CA 1.505 2.284 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -63.68 156.72 26.05 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.4 -1.727 . . . . 0.0 108.575 175.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.75 30.09 0.51 Allowed 'General case' 0 N--CA 1.507 2.386 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 174.362 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.8 -59.06 1.8 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.92 -1.112 . . . . 0.0 110.789 -176.213 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -62.39 -33.55 74.98 Favored 'General case' 0 N--CA 1.519 3.024 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.193 179.203 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 31.2 t -81.06 -3.99 53.74 Favored 'General case' 0 N--CA 1.499 1.999 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.369 177.768 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.515 ' HG2' ' HD2' ' A' ' 412' ' ' ARG . 0.4 OUTLIER -100.67 -8.59 22.71 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 123.317 0.647 . . . . 0.0 111.9 179.824 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . 0.406 ' HB ' ' HD3' ' A' ' 411' ' ' LYS . 2.1 mt -95.12 -52.8 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.745 -0.597 . . . . 0.0 109.683 -179.396 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . 0.406 ' HD3' ' HB ' ' A' ' 410' ' ' ILE . 0.9 OUTLIER -93.35 35.06 1.11 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.139 179.084 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.515 ' HD2' ' HG2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -64.42 -27.21 68.84 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.353 -0.842 . . . . 0.0 108.95 177.417 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.28 -31.13 69.95 Favored 'General case' 0 N--CA 1.505 2.325 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 176.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -38.82 11.88 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.373 0.669 . . . . 0.0 110.428 179.521 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.11 -17.33 40.49 Favored 'General case' 0 N--CA 1.515 2.816 0 O-C-N 121.441 -0.787 . . . . 0.0 113.1 -178.686 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 36.83 49.76 0.79 Allowed 'General case' 0 N--CA 1.527 3.42 0 C-N-CA 124.385 1.074 . . . . 0.0 112.604 179.675 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 176.99 8.15 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.524 -0.735 . . . . 0.0 109.585 -178.725 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.507 2.391 0 O-C-N 121.753 -0.592 . . . . 0.0 111.812 178.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 . . . . . 0 N--CA 1.502 2.168 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -65.29 168.39 7.05 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 113.639 -1.619 . . . . 0.0 109.188 176.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -83.11 19.92 1.34 Allowed 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.397 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 406' ' ' ARG . 2.3 tpp85 -109.05 -66.69 1.03 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.407 -0.808 . . . . 0.0 111.501 -173.811 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.452 ' HE2' ' HB2' ' A' ' 407' ' ' MET . 8.0 mtm -64.43 -38.05 89.66 Favored 'General case' 0 N--CA 1.513 2.691 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.709 179.559 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.496 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 0.2 OUTLIER -65.92 -40.47 91.48 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.463 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.528 ' HA ' ' CG ' ' A' ' 412' ' ' ARG . 10.2 tt0 -53.07 -29.77 32.14 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.167 178.476 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -69.12 -27.46 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 122.147 -0.345 . . . . 0.0 111.042 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -94.83 -12.16 27.51 Favored 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.528 ' CG ' ' HA ' ' A' ' 409' ' ' GLN . 0.3 OUTLIER -95.69 17.54 14.77 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 118.895 0.77 . . . . 0.0 112.127 -179.463 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.86 -40.89 81.25 Favored 'General case' 0 N--CA 1.517 2.9 0 O-C-N 121.095 -1.003 . . . . 0.0 109.93 179.091 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 2.2 pp -74.14 -6.72 49.34 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 1.6 m -71.8 100.41 2.37 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-N 119.723 1.147 . . . . 0.0 109.721 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -51.58 69.19 Favored 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.545 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . 0.495 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -144.14 73.74 1.39 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.834 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.341 0 O-C-N 121.862 -0.524 . . . . 0.0 109.891 -178.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 1.9 pm0 . . . . . 0 N--CA 1.501 2.094 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 403' ' ' GLN . . . -71.67 161.11 31.49 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 113.867 -1.515 . . . . 0.0 108.943 176.862 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.7 mm-40 -84.78 31.09 0.54 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 174.466 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.1 -63.6 1.27 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 111.094 -175.368 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -62.97 -36.98 85.3 Favored 'General case' 0 N--CA 1.512 2.63 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.705 -179.563 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.7 t -87.77 12.39 13.02 Favored 'General case' 0 C--O 1.203 -1.386 0 CA-C-O 119.146 -0.454 . . . . 0.0 109.997 178.189 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.541 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 4.4 tt0 -100.67 -51.19 3.65 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-O 121.945 0.878 . . . . 0.0 108.824 179.664 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.9 mt -65.58 -38.48 82.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.26 178.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . 0.519 ' HD2' ' N ' ' A' ' 411' ' ' LYS . 0.1 OUTLIER -98.47 26.13 5.77 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 122.215 -0.303 . . . . 0.0 111.081 -179.369 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.541 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 1.4 mtp85 -59.43 -22.06 60.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.119 -0.988 . . . . 0.0 111.374 178.752 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.2 mt -60.89 -38.92 87.36 Favored 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.016 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.35 -37.74 10.82 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.411 179.014 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.89 73.98 7.89 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 76.29 5.77 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.64 0.733 . . . . 0.0 109.147 -179.733 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 417' ' ' LYS . 11.9 ttpp -107.25 49.19 0.81 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.441 0.638 . . . . 0.0 109.3 179.914 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.187 0 O-C-N 121.081 -1.012 . . . . 0.0 110.121 -179.681 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 . . . . . 0 N--CA 1.505 2.279 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -57.7 163.92 2.32 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 113.488 -1.687 . . . . 0.0 109.752 176.111 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 7.9 mm-40 -83.44 27.45 0.6 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.024 -1.048 . . . . 0.0 108.648 175.039 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -107.81 -67.89 0.93 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.826 -1.171 . . . . 0.0 111.296 -175.536 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.413 ' HE2' ' HB2' ' A' ' 407' ' ' MET . 5.8 mtm -64.82 -34.78 79.18 Favored 'General case' 0 N--CA 1.515 2.782 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.155 -179.779 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.545 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.5 t -87.75 12.27 13.26 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.568 177.703 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 4.2 tp-100 -102.03 -30.13 11.37 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 123.674 0.79 . . . . 0.0 110.686 -179.88 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.8 mt -84.47 -52.17 12.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.409 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.06 29.17 2.51 Favored 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.714 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 408' ' ' SER . 4.3 mtp85 -56.94 -27.76 61.41 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.929 -1.107 . . . . 0.0 110.138 178.504 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.48 -42.54 70.83 Favored 'General case' 0 N--CA 1.515 2.797 0 CA-C-O 121.813 0.816 . . . . 0.0 109.594 178.301 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.51 -30.35 13.37 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.157 179.336 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.0 122.05 16.11 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.527 -0.733 . . . . 0.0 110.851 -178.817 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -113.18 23.56 13.19 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.976 -0.452 . . . . 0.0 110.593 179.193 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 52.42 1.82 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.014 -1.054 . . . . 0.0 108.986 -179.78 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp . . . . . 0 N--CA 1.499 1.997 0 O-C-N 121.435 -0.79 . . . . 0.0 110.007 -179.291 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 N--CA 1.505 2.32 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -66.58 164.7 16.12 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 113.966 -1.47 . . . . 0.0 108.079 175.577 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 405' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 5.6 mm-40 -82.73 21.09 1.04 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.847 -1.158 . . . . 0.0 109.04 174.819 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -103.44 -64.16 1.11 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.183 -0.948 . . . . 0.0 109.165 -177.445 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.453 ' HE2' ' HB2' ' A' ' 407' ' ' MET . 7.1 mtm -66.27 -34.75 78.72 Favored 'General case' 0 N--CA 1.514 2.744 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.549 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 408' ' ' SER . . . . . 0.581 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.2 OUTLIER -71.43 -3.49 21.23 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 175.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 409' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 1.3 tp-100 -108.5 2.59 22.35 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -177.489 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.5 mt -73.25 -102.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.548 -0.72 . . . . 0.0 110.591 -178.056 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -83.39 40.96 0.75 Allowed 'General case' 0 N--CA 1.522 3.137 0 O-C-N 120.952 -1.092 . . . . 0.0 110.716 179.841 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 412' ' ' ARG . . . . . 0.581 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -100.9 12.36 37.77 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.22 -0.925 . . . . 0.0 113.103 -178.047 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.0 mt -84.31 14.64 4.19 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.519 -0.738 . . . . 0.0 110.803 178.919 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -97.54 -51.83 3.99 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 121.409 -0.807 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.03 177.78 5.87 Favored 'General case' 0 N--CA 1.508 2.447 0 CA-C-O 121.628 0.728 . . . . 0.0 110.679 -179.926 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -74.6 70.75 1.84 Allowed 'General case' 0 N--CA 1.507 2.424 0 CA-C-O 121.829 0.823 . . . . 0.0 110.603 -179.453 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 68.86 6.6 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.895 -1.128 . . . . 0.0 108.203 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.875 0 O-C-N 121.741 -0.6 . . . . 0.0 110.538 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.393 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -80.64 -48.94 11.9 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.444 ' HB2' ' CE ' ' A' ' 407' ' ' MET . . . -66.83 156.47 35.53 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 113.152 -1.84 . . . . 0.0 109.34 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.33 34.2 0.57 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 175.221 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.86 -70.01 0.81 Allowed 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.939 -1.101 . . . . 0.0 111.704 -174.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.444 ' CE ' ' HB2' ' A' ' 404' ' ' ALA . 0.5 OUTLIER -61.67 -28.35 69.33 Favored 'General case' 0 N--CA 1.516 2.875 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.155 -179.433 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.513 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 1.9 t -79.46 -34.31 41.62 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 177.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.514 ' HA ' ' CG ' ' A' ' 412' ' ' ARG . 17.6 tt0 -54.21 -43.15 70.53 Favored 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 123.171 0.588 . . . . 0.0 111.024 178.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.8 mt -60.53 -26.92 39.04 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.01 -4.88 42.36 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.514 ' CG ' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -91.87 22.98 3.88 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 119.477 1.035 . . . . 0.0 110.849 178.672 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.08 -23.47 63.82 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.194 -0.941 . . . . 0.0 110.38 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.7 -18.11 56.94 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.74 0.416 . . . . 0.0 110.748 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.73 154.57 36.35 Favored 'General case' 0 N--CA 1.507 2.396 0 CA-C-N 119.142 0.883 . . . . 0.0 110.54 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.56 -72.24 0.06 Allowed 'General case' 0 N--CA 1.515 2.787 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.39 91.19 2.36 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 119.389 0.995 . . . . 0.0 110.362 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.17 94.22 2.78 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.566 -0.709 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.1 p 59.53 -172.17 0.12 Allowed 'General case' 0 N--CA 1.514 2.765 0 CA-C-O 120.749 0.309 . . . . 0.0 110.421 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.231 0 O-C-N 118.538 -2.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . 0.496 ' CH3' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.219 -0.515 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -81.89 -46.15 14.48 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.261 . . -57.75 164.14 2.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 113.044 -1.889 . . . . 0.0 112.005 177.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.03 31.99 0.54 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 173.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.423 ' O ' HG13 ' A' ' 410' ' ' ILE . 0.0 OUTLIER -98.38 -51.01 4.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.873 -1.142 . . . . 0.0 108.828 -177.401 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.496 ' SD ' ' CH3' ' A' ' 402' ' ' ACE . 0.0 OUTLIER -63.24 -27.68 69.51 Favored 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 176.165 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 1.6 t -68.07 -49.03 63.86 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.6 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 2.6 tt0 -52.65 -48.66 66.3 Favored 'General case' 0 N--CA 1.51 2.555 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.771 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 406' ' ' ARG . 8.5 mt -66.51 -41.71 88.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.466 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -96.08 27.75 3.5 Favored 'General case' 0 N--CA 1.508 2.434 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.6 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -66.39 -16.64 64.24 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.861 -1.149 . . . . 0.0 111.507 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.6 mt -60.42 -31.33 70.3 Favored 'General case' 0 N--CA 1.51 2.555 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 175.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -29.09 21.36 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.428 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 42.9 m -57.69 107.42 0.45 Allowed 'General case' 0 N--CA 1.505 2.322 0 CA-C-N 118.98 0.809 . . . . 0.0 109.906 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.85 88.91 5.24 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.576 -0.703 . . . . 0.0 109.354 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.94 67.28 9.75 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.5 118.66 6.33 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.598 0.713 . . . . 0.0 110.441 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.2 t -43.26 157.57 0.04 OUTLIER 'General case' 0 N--CA 1.518 2.929 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.058 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.523 0 O-C-N 119.04 -2.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -86.98 -56.52 3.34 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.271 . . -79.55 154.5 28.74 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-N 111.878 -2.419 . . . . 0.0 107.446 175.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 407' ' ' MET . 1.6 pm0 -66.73 118.62 10.53 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 101.737 -3.431 . . . . 0.0 101.737 171.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.06 68.59 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.34 0 CA-C-O 121.474 0.654 . . . . 0.0 112.758 -175.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -90.71 -33.59 15.72 Favored 'General case' 0 N--CA 1.515 2.821 0 O-C-N 121.346 -0.846 . . . . 0.0 109.978 178.61 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 33.4 t -85.79 -27.46 25.15 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.467 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 1.6 tp-100 -54.75 -40.25 69.14 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 123.395 0.678 . . . . 0.0 110.539 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.8 mt -72.18 -48.8 47.26 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.906 0 CA-C-O 120.967 0.413 . . . . 0.0 109.924 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 34.76 1.49 Allowed 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.205 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.472 ' HA ' ' HB2' ' A' ' 415' ' ' SER . 8.8 mtm105 -63.58 -27.35 69.19 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.967 -1.083 . . . . 0.0 109.546 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.93 -33.6 68.98 Favored 'General case' 0 N--CA 1.509 2.521 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.47 -44.93 10.35 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.179 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' SER . . . . . 0.472 ' HB2' ' HA ' ' A' ' 412' ' ' ARG . 2.9 m -55.84 -35.43 66.4 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.893 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.84 -31.24 48.67 Favored 'General case' 0 N--CA 1.508 2.468 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.768 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 33.89 3.6 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.444 -0.785 . . . . 0.0 110.105 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.52 ' HD2' HG21 ' A' ' 419' ' ' THR . 0.4 OUTLIER -126.97 97.61 5.02 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.167 -0.958 . . . . 0.0 109.918 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.52 HG21 ' HD2' ' A' ' 418' ' ' LYS . 11.5 p 50.91 -155.64 0.13 Allowed 'General case' 0 N--CA 1.512 2.657 0 O-C-N 122.158 -0.339 . . . . 0.0 111.168 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.277 0 O-C-N 118.874 -2.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.443 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -80.69 -36.89 31.71 Favored 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.288 . . -64.37 161.6 16.6 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.551 -1.658 . . . . 0.0 111.371 177.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.78 33.63 0.59 Allowed 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.75 -50.69 5.77 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.062 -1.024 . . . . 0.0 108.285 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -65.5 -27.33 68.4 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.413 176.268 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 412' ' ' ARG . 1.2 t -76.28 -42.61 44.91 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.44 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 11.6 tt0 -51.13 -29.77 14.49 Favored 'General case' 0 N--CA 1.516 2.87 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -71.86 -46.04 62.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.472 ' HD3' ' C ' ' A' ' 411' ' ' LYS . 0.1 OUTLIER -96.54 12.22 32.34 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 122.872 0.469 . . . . 0.0 111.926 -179.082 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.44 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -70.5 2.21 4.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.237 -1.539 . . . . 0.0 113.044 -179.587 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.13 -41.55 79.27 Favored 'General case' 0 N--CA 1.515 2.795 0 CA-C-N 119.102 0.864 . . . . 0.0 109.711 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -21.46 32.94 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.253 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.9 m -70.87 -172.73 0.69 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.422 -0.798 . . . . 0.0 110.441 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -47.2 -45.77 23.45 Favored 'General case' 0 N--CA 1.52 3.033 0 O-C-N 121.192 -0.942 . . . . 0.0 111.186 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 417' ' ' LYS . 0.3 OUTLIER 35.5 81.56 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.372 0 C-N-CA 124.785 1.234 . . . . 0.0 109.878 177.642 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -161.98 -164.45 1.08 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.002 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 16.7 p -104.01 129.54 51.62 Favored 'General case' 0 N--CA 1.5 2.054 0 CA-C-O 121.094 0.473 . . . . 0.0 110.378 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.446 0 O-C-N 119.136 -2.228 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . 0.452 ' H1 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.218 -0.586 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.85 -46.29 15.53 Favored 'General case' 0 N--CA 1.506 2.348 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.28 . . -51.98 162.2 0.49 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.033 -1.894 . . . . 0.0 111.756 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -85.12 32.57 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.417 ' HD2' ' HA ' ' A' ' 406' ' ' ARG . 6.7 tpt85 -97.03 -46.8 6.04 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.928 -1.107 . . . . 0.0 109.322 -177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.452 ' SD ' ' H1 ' ' A' ' 402' ' ' ACE . 0.0 OUTLIER -65.88 -29.15 69.55 Favored 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.725 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.523 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 21.8 t -76.81 -11.17 59.79 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.396 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -109.18 7.62 25.54 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.9 mt -76.26 -105.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.367 -0.833 . . . . 0.0 110.643 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.51 44.54 0.9 Allowed 'General case' 0 N--CA 1.518 2.97 0 O-C-N 120.997 -1.064 . . . . 0.0 111.029 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.523 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -97.32 3.84 51.04 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.248 -0.908 . . . . 0.0 112.596 -179.453 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.58 -46.34 9.64 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -38.18 65.77 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.902 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.33 153.67 37.69 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-O 121.369 0.604 . . . . 0.0 110.809 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.73 28.68 8.58 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.956 -0.465 . . . . 0.0 110.657 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.476 ' HE2' ' HB2' ' A' ' 417' ' ' LYS . 1.3 mppt? -101.9 58.26 0.83 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.259 -0.901 . . . . 0.0 109.666 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.479 ' HE2' HG21 ' A' ' 419' ' ' THR . 0.0 OUTLIER -170.5 93.57 0.21 Allowed 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.567 -0.708 . . . . 0.0 109.848 -179.682 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.479 HG21 ' HE2' ' A' ' 418' ' ' LYS . 7.5 p 51.18 51.85 16.1 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-O 121.02 0.438 . . . . 0.0 110.848 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 118.743 -2.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.378 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -80.72 -47.84 13.41 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -61.31 166.87 3.54 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.393 -1.73 . . . . 0.0 109.299 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.4 tp10 -84.13 21.01 1.44 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.16 -0.963 . . . . 0.0 109.448 175.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -105.55 -66.02 1.01 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.387 -0.821 . . . . 0.0 109.977 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.414 ' HB2' ' HE2' ' A' ' 407' ' ' MET . 3.7 mtm -66.34 -26.37 67.26 Favored 'General case' 0 N--CA 1.513 2.716 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.312 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.443 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -89.6 8.81 29.45 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.425 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.484 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 13.9 tt0 -102.94 -45.37 4.98 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-O 121.446 0.641 . . . . 0.0 110.924 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.8 mt -64.42 -45.87 94.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.266 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.1 33.94 1.46 Allowed 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.483 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.484 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 1.5 mtp85 -69.91 -25.97 63.94 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.893 -1.129 . . . . 0.0 109.474 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.87 -43.48 95.93 Favored 'General case' 0 N--CA 1.509 2.483 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 177.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.71 -35.52 65.14 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.756 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 44.5 m -59.97 111.4 1.47 Allowed 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 114.47 6.7 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.874 -0.517 . . . . 0.0 109.998 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.466 ' O ' ' HD2' ' A' ' 417' ' ' LYS . 0.0 OUTLIER 57.77 91.21 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 121.963 0.887 . . . . 0.0 108.912 179.417 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.477 ' HB3' ' HE2' ' A' ' 418' ' ' LYS . 4.6 ttpt -167.46 72.49 0.11 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.238 1.018 . . . . 0.0 110.303 -177.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.2 p 51.87 29.06 5.59 Favored 'General case' 0 N--CA 1.513 2.695 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.892 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 118.876 -2.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.487 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -79.4 -48.98 13.06 Favored 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 104.676 -2.342 . . . . 0.0 104.676 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.483 ' HB2' ' CE ' ' A' ' 407' ' ' MET . . . -68.91 149.24 49.1 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.112 -1.858 . . . . 0.0 107.705 175.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.1 pm0 -84.18 32.44 0.49 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.089 -1.007 . . . . 0.0 108.468 175.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -104.4 -60.6 1.57 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.312 -0.868 . . . . 0.0 110.396 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.483 ' CE ' ' HB2' ' A' ' 404' ' ' ALA . 1.4 ptp -63.89 -34.49 78.05 Favored 'General case' 0 N--CA 1.515 2.803 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.556 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 11.7 t -75.21 -4.67 40.29 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.8 OUTLIER -109.03 2.97 21.61 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -177.241 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.5 mt -77.14 -112.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.596 -0.69 . . . . 0.0 109.833 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -76.45 46.31 0.42 Allowed 'General case' 0 N--CA 1.527 3.417 0 CA-C-N 119.748 1.158 . . . . 0.0 111.924 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.556 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.97 -5.15 31.08 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.082 -1.011 . . . . 0.0 112.684 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -48.87 33.34 Favored 'General case' 0 N--CA 1.511 2.579 0 CA-C-O 121.582 0.706 . . . . 0.0 109.62 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -36.48 80.68 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.786 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.7 t -79.39 175.87 10.21 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.784 0.802 . . . . 0.0 111.122 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.92 40.26 0.39 Allowed 'General case' 0 N--CA 1.513 2.721 0 O-C-N 121.631 -0.668 . . . . 0.0 112.496 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.48 77.73 1.57 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.402 -1.436 . . . . 0.0 110.773 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.475 ' HD2' HG21 ' A' ' 419' ' ' THR . 0.0 OUTLIER -124.72 103.15 7.94 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.588 -0.695 . . . . 0.0 109.686 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.475 HG21 ' HD2' ' A' ' 418' ' ' LYS . 8.1 p 46.01 54.83 7.69 Favored 'General case' 0 N--CA 1.513 2.685 0 C-N-CA 123.381 0.672 . . . . 0.0 111.578 178.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 118.782 -2.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 4.6 pm0 -78.56 -41.88 30.77 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 403' ' ' GLN . . . -74.93 149.45 39.41 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 113.228 -1.805 . . . . 0.0 108.363 176.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.7 mm-40 -84.09 35.1 0.52 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 174.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -102.46 -59.57 1.68 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.23 -0.919 . . . . 0.0 109.856 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.8 ptp -67.38 -33.08 74.47 Favored 'General case' 0 N--CA 1.513 2.696 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.549 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 29.4 t -68.75 -10.93 59.38 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.8 OUTLIER -108.44 7.38 26.95 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -177.201 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.407 HG21 ' HD2' ' A' ' 411' ' ' LYS . 7.2 mt -75.66 -103.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.512 -0.743 . . . . 0.0 110.578 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.407 ' HD2' HG21 ' A' ' 410' ' ' ILE . 11.1 mptt -83.67 43.24 0.89 Allowed 'General case' 0 N--CA 1.517 2.891 0 O-C-N 120.985 -1.072 . . . . 0.0 110.343 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.549 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -99.02 12.4 36.13 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.342 -0.849 . . . . 0.0 112.447 -178.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.39 18.06 8.97 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.587 -0.695 . . . . 0.0 109.844 178.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -48.57 4.61 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.34 -0.85 . . . . 0.0 110.842 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.2 t -86.77 178.93 6.86 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-O 121.459 0.647 . . . . 0.0 111.771 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.13 27.28 7.85 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 121.817 -0.552 . . . . 0.0 111.283 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.409 ' HB2' ' HE2' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -113.08 118.65 35.35 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -179.725 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 418' ' ' LYS . 0.0 OUTLIER -165.78 -157.31 0.3 Allowed 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.958 -176.404 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 5.1 p -100.94 -51.8 3.45 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.862 -0.524 . . . . 0.0 110.075 -177.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 119.431 -2.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.503 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -79.21 -37.38 38.29 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -77.97 156.47 30.19 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 113.745 -1.57 . . . . 0.0 108.165 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.1 tm-20 -83.92 29.3 0.55 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.0 -1.063 . . . . 0.0 108.521 175.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -99.37 -55.47 2.67 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.128 -0.982 . . . . 0.0 109.027 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -66.73 -31.22 71.73 Favored 'General case' 0 N--CA 1.515 2.8 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 37.1 t -81.62 2.12 30.86 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.64 177.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.478 ' HA ' ' CD ' ' A' ' 412' ' ' ARG . 1.1 tm0? -101.94 -22.4 14.32 Favored 'General case' 0 N--CA 1.508 2.433 0 O-C-N 121.596 -0.69 . . . . 0.0 111.737 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 410' ' ' ILE . 5.5 mt -90.63 -51.9 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 CA-C-O 121.202 0.525 . . . . 0.0 110.046 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 32.46 1.66 Allowed 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.202 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 409' ' ' GLN . 7.5 mtp180 -62.94 -29.2 70.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.247 -0.908 . . . . 0.0 109.197 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.3 mt -57.08 -36.96 71.2 Favored 'General case' 0 N--CA 1.515 2.798 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.28 -38.27 17.7 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.098 178.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.3 83.43 3.75 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.515 0.674 . . . . 0.0 109.421 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -82.71 69.64 9.54 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.97 67.99 9.95 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.4 87.46 0.16 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.746 -0.596 . . . . 0.0 109.674 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.5 p 58.7 17.41 5.1 Favored 'General case' 0 N--CA 1.515 2.813 0 O-C-N 122.066 -0.396 . . . . 0.0 111.069 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 118.959 -2.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.458 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -78.99 -49.17 13.16 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.462 ' HB2' ' CE ' ' A' ' 407' ' ' MET . . . -66.13 153.25 42.86 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.36 -1.746 . . . . 0.0 108.467 175.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -83.82 31.4 0.48 Allowed 'General case' 0 N--CA 1.509 2.482 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 174.514 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 406' ' ' ARG . 0.0 OUTLIER -106.93 -65.56 1.08 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.345 -0.847 . . . . 0.0 112.076 -174.516 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.462 ' CE ' ' HB2' ' A' ' 404' ' ' ALA . 1.5 ptp -63.55 -29.96 71.15 Favored 'General case' 0 N--CA 1.514 2.729 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.086 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.469 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.5 t -89.78 12.7 16.34 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.454 ' CA ' ' HG3' ' A' ' 412' ' ' ARG . 6.8 tp-100 -107.11 -49.85 3.2 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.906 0.86 . . . . 0.0 110.29 -177.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.5 mt -68.1 -43.54 85.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.261 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 28.65 2.61 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.149 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 408' ' ' SER . 0.3 OUTLIER -62.77 -22.89 66.92 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.295 -0.878 . . . . 0.0 110.938 178.268 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.1 mt -60.91 -38.25 85.07 Favored 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -41.84 13.4 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.5 90.97 3.31 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.607 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -77.25 83.71 3.71 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.39 41.32 2.84 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.479 ' HE3' ' HB3' ' A' ' 418' ' ' LYS . 0.0 OUTLIER -124.26 27.92 6.89 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.363 -0.836 . . . . 0.0 111.456 -179.015 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 71.98 133.61 0.04 OUTLIER 'General case' 0 N--CA 1.52 3.064 0 O-C-N 120.884 -1.135 . . . . 0.0 110.553 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.441 0 O-C-N 119.172 -2.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.166 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -79.16 -49.15 13.03 Favored 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -61.58 159.41 13.17 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.373 -1.74 . . . . 0.0 108.363 175.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 22.5 mm-40 -83.7 24.71 0.84 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.986 -1.071 . . . . 0.0 109.874 176.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -103.79 -64.23 1.12 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.413 -0.804 . . . . 0.0 109.216 -177.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -66.23 -43.02 87.81 Favored 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.42 ' CB ' ' HG3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -60.75 -35.54 76.64 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.082 176.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 4.3 tp-100 -50.68 -24.22 3.21 Favored 'General case' 0 N--CA 1.516 2.864 0 O-C-N 121.533 -0.729 . . . . 0.0 111.764 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -88.58 -60.53 2.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 O-C-N 122.034 -0.416 . . . . 0.0 110.156 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.35 22.44 12.52 Favored 'General case' 0 N--CA 1.521 3.084 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.469 ' HD3' ' HA ' ' A' ' 409' ' ' GLN . 13.1 mtp180 -59.21 -22.89 61.74 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.895 -1.128 . . . . 0.0 110.841 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.3 mt -57.68 -28.96 64.27 Favored 'General case' 0 N--CA 1.508 2.462 0 CA-C-O 120.813 0.339 . . . . 0.0 110.156 178.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -98.75 8.28 45.13 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.699 0.399 . . . . 0.0 111.637 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.55 78.11 7.31 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.853 -1.154 . . . . 0.0 109.824 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -29.09 36.68 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 121.961 -0.462 . . . . 0.0 111.166 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -121.52 36.42 4.62 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.508 -0.745 . . . . 0.0 110.706 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -156.76 176.27 12.96 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.284 -0.885 . . . . 0.0 110.751 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.47 -67.59 0.64 Allowed 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -178.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 119.645 -1.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . 0.498 ' CH3' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.494 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -79.57 -48.8 13.19 Favored 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -72.26 151.39 42.86 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.082 -1.872 . . . . 0.0 107.935 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -84.75 30.71 0.55 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.943 -1.098 . . . . 0.0 108.571 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -106.41 -65.7 1.06 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.137 -0.977 . . . . 0.0 111.883 -174.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.498 ' SD ' ' CH3' ' A' ' 402' ' ' ACE . 1.6 pmm? -59.68 -37.34 78.53 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.526 -178.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 25.9 t -69.7 -37.17 76.48 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.531 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 44.2 tt0 -53.09 -29.96 33.53 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 122.732 0.413 . . . . 0.0 111.527 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.419 HD11 HG22 ' A' ' 410' ' ' ILE . 6.7 mt -72.98 -29.01 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 122.26 -0.275 . . . . 0.0 111.207 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -94.72 -4.74 46.91 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.531 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -89.96 23.49 2.76 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.003 -1.061 . . . . 0.0 110.596 178.694 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 5.1 mt -59.88 -21.76 61.45 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 121.134 -0.979 . . . . 0.0 110.543 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.67 -19.38 45.36 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 122.739 0.416 . . . . 0.0 110.612 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.55 89.2 2.72 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 119.222 0.919 . . . . 0.0 109.221 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.44 90.49 0.98 Allowed 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.459 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.2 OUTLIER 56.58 74.92 0.38 Allowed 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 122.258 1.028 . . . . 0.0 108.502 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.441 ' HD2' ' CG2' ' A' ' 419' ' ' THR . 0.0 OUTLIER -155.57 109.2 2.8 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.364 -175.575 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.441 ' CG2' ' HD2' ' A' ' 418' ' ' LYS . 11.9 p 44.14 38.47 2.36 Favored 'General case' 0 N--CA 1.511 2.6 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.32 177.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.13 -2.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.485 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.406 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 2.7 pm0 -79.95 -35.29 37.88 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.406 ' N ' ' HG2' ' A' ' 403' ' ' GLN 0.254 . . -83.38 157.21 22.61 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 113.615 -1.63 . . . . 0.0 109.31 178.104 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.08 36.49 0.63 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 174.308 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.22 -58.78 1.81 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.0 108.86 -176.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -67.78 -29.44 68.64 Favored 'General case' 0 N--CA 1.512 2.664 0 CA-C-N 115.089 -0.959 . . . . 0.0 108.696 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.551 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 47.1 t -84.25 5.91 24.81 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.034 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.48 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 57.3 tt0 -100.99 -14.78 17.72 Favored 'General case' 0 N--CA 1.509 2.514 0 C-N-CA 123.538 0.735 . . . . 0.0 111.122 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.4 mt -88.1 -51.04 13.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 O-C-N 121.762 -0.586 . . . . 0.0 109.641 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.11 30.82 2.04 Favored 'General case' 0 N--CA 1.511 2.58 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.825 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -60.97 -29.36 69.62 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.101 -0.999 . . . . 0.0 109.367 178.072 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.86 -37.68 71.64 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-O 121.58 0.705 . . . . 0.0 109.27 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.57 -34.57 15.45 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.027 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.4 t -80.25 58.52 3.08 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.619 -0.676 . . . . 0.0 111.03 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.72 -17.75 57.28 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.794 -0.567 . . . . 0.0 111.319 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.12 38.41 2.55 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.413 ' HE2' HG22 ' A' ' 419' ' ' THR . 0.0 OUTLIER -177.03 90.8 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.806 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.413 HG22 ' HE2' ' A' ' 418' ' ' LYS . 1.4 p 62.33 11.71 4.72 Favored 'General case' 0 N--CA 1.518 2.93 0 O-C-N 122.004 -0.435 . . . . 0.0 110.932 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.228 0 O-C-N 119.062 -2.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.445 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -79.34 -38.46 35.09 Favored 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -69.91 162.82 27.25 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.245 176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.9 OUTLIER -82.59 23.6 0.77 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.889 -1.132 . . . . 0.0 108.795 174.757 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.98 -70.07 0.81 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.979 -1.075 . . . . 0.0 111.509 -175.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 7.2 mtm -58.35 -42.5 87.03 Favored 'General case' 0 N--CA 1.514 2.753 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.201 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 32.1 t -66.01 -38.42 88.4 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.604 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 18.8 tt0 -52.31 -29.14 21.96 Favored 'General case' 0 N--CA 1.513 2.694 0 C-N-CA 122.78 0.432 . . . . 0.0 111.925 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.28 -26.07 22.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 122.244 -0.285 . . . . 0.0 110.608 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 411' ' ' LYS . 0.0 OUTLIER -96.55 -21.42 17.69 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 122.69 0.396 . . . . 0.0 111.99 -179.265 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.604 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -85.93 18.84 2.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.459 -0.775 . . . . 0.0 112.009 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 6.0 mt -55.04 -35.81 64.86 Favored 'General case' 0 N--CA 1.522 3.138 0 O-C-N 121.342 -0.849 . . . . 0.0 109.953 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.47 -9.87 38.64 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 123.294 0.638 . . . . 0.0 112.372 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 67.3 m -71.96 85.14 0.98 Allowed 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 119.236 0.925 . . . . 0.0 109.522 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.26 -48.89 71.68 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.746 -0.596 . . . . 0.0 109.697 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -139.39 75.1 1.5 Allowed 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.519 0.676 . . . . 0.0 109.353 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.59 -165.4 1.54 Allowed 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.654 -0.654 . . . . 0.0 110.542 -179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.7 t -165.6 169.96 14.77 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.379 -0.826 . . . . 0.0 110.229 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.434 0 O-C-N 119.258 -2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . 0.559 ' H2 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.223 -0.321 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -80.94 -47.12 14.13 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -68.39 168.67 12.14 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.424 -1.717 . . . . 0.0 108.583 176.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.25 13.04 3.75 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.334 -0.854 . . . . 0.0 109.537 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -104.21 -60.13 1.63 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.159 -0.963 . . . . 0.0 110.873 -175.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.559 ' HB2' ' H2 ' ' A' ' 402' ' ' ACE . 2.7 mpp? -67.15 -36.35 81.64 Favored 'General case' 0 N--CA 1.509 2.49 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.415 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 0.3 OUTLIER -70.88 -4.27 23.49 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.788 176.353 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -96.68 -28.72 14.19 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.842 -0.537 . . . . 0.0 109.898 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 2.4 mt -94.79 -50.66 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.6 27.94 2.83 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.035 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -57.46 -26.14 60.77 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.164 -0.96 . . . . 0.0 110.331 178.391 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.18 -37.66 69.9 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-O 121.577 0.704 . . . . 0.0 109.429 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.91 -30.32 12.44 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.028 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.58 -55.34 4.72 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.475 -0.765 . . . . 0.0 112.567 -177.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.54 -45.46 11.76 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.984 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.34 69.12 10.44 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.403 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 0.4 OUTLIER -167.84 178.3 5.29 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.58 -0.7 . . . . 0.0 110.647 -178.782 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 21.4 p -91.45 128.67 37.38 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.39 0.614 . . . . 0.0 110.557 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.466 0 O-C-N 119.353 -2.092 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . 0.441 ' CH3' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.497 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -81.7 -48.0 12.24 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.273 . . -53.2 160.64 1.04 Allowed 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.448 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.5 32.61 0.57 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -95.64 -46.94 6.42 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.149 -0.97 . . . . 0.0 109.051 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.441 ' SD ' ' CH3' ' A' ' 402' ' ' ACE . 0.0 OUTLIER -67.88 -29.83 69.04 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 175.782 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.543 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 20.4 t -74.63 -9.12 58.26 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 122.693 0.397 . . . . 0.0 110.303 176.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -109.0 6.75 25.43 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.4 mt -77.67 -114.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.454 -0.779 . . . . 0.0 110.121 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.42 45.13 0.37 Allowed 'General case' 0 N--CA 1.524 3.273 0 CA-C-N 119.675 1.125 . . . . 0.0 112.401 -179.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.543 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -94.96 -10.15 31.89 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.178 -0.951 . . . . 0.0 111.908 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.1 mt -66.15 -46.07 78.72 Favored 'General case' 0 N--CA 1.508 2.474 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -36.77 76.85 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.975 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.22 164.72 6.62 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.832 -0.542 . . . . 0.0 110.746 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.05 -74.47 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.558 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.547 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.8 89.02 0.08 Allowed 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 122.202 1.001 . . . . 0.0 108.421 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -152.28 -177.11 5.99 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.774 -0.579 . . . . 0.0 111.025 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.2 t -150.67 166.6 29.87 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.826 -0.546 . . . . 0.0 110.194 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.468 0 O-C-N 119.286 -2.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.462 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -80.06 -47.84 14.22 Favored 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 105.872 -1.899 . . . . 0.0 105.872 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -61.76 158.99 14.45 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 113.262 -1.79 . . . . 0.0 108.711 176.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.5 mt-10 -83.84 28.6 0.58 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.008 -1.057 . . . . 0.0 108.843 175.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -104.99 -66.1 1.0 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.073 -1.017 . . . . 0.0 109.833 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.423 ' HE2' ' HB2' ' A' ' 407' ' ' MET . 4.8 mtm -65.56 -31.59 72.73 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.721 178.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 7.5 t -87.5 13.03 10.87 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 1.8 tt0 -100.91 -30.08 11.85 Favored 'General case' 0 N--CA 1.511 2.595 0 C-N-CA 123.384 0.674 . . . . 0.0 110.824 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.7 mt -80.18 -56.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -95.86 36.28 1.31 Allowed 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.702 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 408' ' ' SER . 6.7 mtp180 -61.73 -29.84 70.38 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.73 -1.232 . . . . 0.0 108.888 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.6 mt -54.12 -34.37 60.12 Favored 'General case' 0 N--CA 1.514 2.751 0 CA-C-O 121.701 0.762 . . . . 0.0 109.561 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.86 -32.37 13.96 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.538 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' SER . . . . . 0.48 ' HB3' ' HA ' ' A' ' 412' ' ' ARG . 8.6 t -77.49 -120.08 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 122.008 -0.432 . . . . 0.0 110.951 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -69.63 52.35 0.11 Allowed 'General case' 0 N--CA 1.514 2.752 0 O-C-N 121.274 -0.891 . . . . 0.0 112.568 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.449 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -116.05 75.87 0.98 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.602 -1.311 . . . . 0.0 108.515 178.351 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 418' ' ' LYS . 0.3 OUTLIER -138.37 29.06 2.46 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.746 -0.596 . . . . 0.0 110.848 -179.074 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 68.09 125.55 0.02 OUTLIER 'General case' 0 N--CA 1.515 2.809 0 O-C-N 120.933 -1.105 . . . . 0.0 110.166 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.473 0 O-C-N 119.139 -2.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . 0.42 ' H3 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.449 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -79.68 -48.95 12.84 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -66.99 158.51 30.74 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 113.336 -1.756 . . . . 0.0 108.995 175.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.43 27.9 0.57 Allowed 'General case' 0 N--CA 1.509 2.484 0 O-C-N 121.176 -0.952 . . . . 0.0 108.452 173.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -53.19 2.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.165 -0.959 . . . . 0.0 110.726 -176.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.42 ' HB2' ' H3 ' ' A' ' 402' ' ' ACE . 2.8 mpp? -65.45 -39.73 92.38 Favored 'General case' 0 N--CA 1.513 2.689 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.544 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 8.4 t -70.23 -2.65 13.9 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.766 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -110.27 1.47 18.61 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.0 mt -75.45 -105.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.673 -0.642 . . . . 0.0 111.264 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 43.59 0.65 Allowed 'General case' 0 N--CA 1.521 3.12 0 O-C-N 121.054 -1.028 . . . . 0.0 111.54 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.544 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -99.68 -5.84 28.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.034 -1.042 . . . . 0.0 112.85 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.18 -39.73 79.64 Favored 'General case' 0 N--CA 1.513 2.681 0 CA-C-O 121.274 0.559 . . . . 0.0 110.231 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -22.9 64.77 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 122.985 0.514 . . . . 0.0 111.99 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 7.4 t -85.94 -178.84 6.67 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.514 -0.741 . . . . 0.0 110.933 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.85 69.03 4.95 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.427 -0.796 . . . . 0.0 109.908 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 417' ' ' LYS . 13.2 ttpp -90.64 60.15 4.45 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.274 -0.891 . . . . 0.0 108.855 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.19 67.32 0.05 OUTLIER 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.621 -0.674 . . . . 0.0 109.485 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.2 p 69.22 109.02 0.05 Allowed 'General case' 0 N--CA 1.518 2.944 0 C-N-CA 123.37 0.668 . . . . 0.0 110.337 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.552 0 O-C-N 118.64 -2.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.45 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -79.28 -37.92 36.67 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -77.19 153.1 34.44 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 113.562 -1.654 . . . . 0.0 108.14 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 10.1 mm-40 -84.23 34.11 0.51 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.96 -1.088 . . . . 0.0 108.257 174.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -100.75 -55.39 2.59 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.991 -1.068 . . . . 0.0 108.581 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -65.61 -27.85 68.7 Favored 'General case' 0 N--CA 1.509 2.512 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 175.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.489 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 22.7 t -85.35 -0.0 53.44 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.731 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.445 ' HA ' ' HG2' ' A' ' 412' ' ' ARG . 5.3 tp60 -98.94 -24.38 14.97 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.684 -0.635 . . . . 0.0 110.786 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.17 -47.81 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.52 28.74 2.84 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 408' ' ' SER . 0.1 OUTLIER -56.82 -27.13 59.59 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.199 -0.938 . . . . 0.0 110.484 178.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.5 mt -55.47 -41.01 72.35 Favored 'General case' 0 N--CA 1.515 2.786 0 CA-C-O 121.677 0.751 . . . . 0.0 109.437 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.09 -30.38 13.07 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.018 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 1.1 t -70.72 138.47 50.58 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.524 -0.735 . . . . 0.0 111.642 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -80.56 78.89 7.25 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -97.23 62.75 1.8 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.21 127.33 1.22 Allowed 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 121.567 0.699 . . . . 0.0 110.662 -178.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.2 t -69.86 -96.02 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.269 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.516 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 118.545 -2.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . 0.497 ' CH3' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.49 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -80.65 -48.07 13.15 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -67.85 146.11 53.99 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 113.032 -1.895 . . . . 0.0 108.507 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.06 40.4 0.82 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 174.736 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -103.7 -67.27 0.9 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.834 -1.166 . . . . 0.0 109.063 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.497 ' SD ' ' CH3' ' A' ' 402' ' ' ACE . 1.6 pmm? -61.61 -33.72 74.4 Favored 'General case' 0 N--CA 1.513 2.677 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 28.1 t -76.25 -3.64 37.62 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.439 176.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -100.03 -35.57 9.66 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.671 -0.643 . . . . 0.0 110.294 179.59 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.58 -42.23 14.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.228 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -93.96 5.6 51.15 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -22.21 60.83 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.501 -0.749 . . . . 0.0 110.751 177.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.1 mt -57.46 -28.87 63.75 Favored 'General case' 0 N--CA 1.51 2.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.01 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -20.71 59.64 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.702 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 5.2 t -94.34 106.6 18.58 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.428 -0.795 . . . . 0.0 109.548 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.32 77.81 5.84 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -106.36 36.27 2.66 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.92 -0.487 . . . . 0.0 111.054 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -128.14 42.04 3.39 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.423 -0.798 . . . . 0.0 109.747 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 4.5 t 39.73 74.99 0.08 Allowed 'General case' 0 N--CA 1.522 3.165 0 C-N-CA 123.633 0.773 . . . . 0.0 112.191 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.2 -2.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . 0.455 ' H2 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.221 -0.417 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -79.75 -47.44 15.26 Favored 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.435 ' HB2' ' CE ' ' A' ' 407' ' ' MET . . . -68.18 157.61 35.02 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.204 -1.816 . . . . 0.0 109.017 176.476 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 10.7 tp10 -84.35 29.56 0.58 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.202 -0.936 . . . . 0.0 108.492 174.805 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -100.98 -55.19 2.62 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.316 -0.865 . . . . 0.0 109.35 -177.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.455 ' HB2' ' H2 ' ' A' ' 402' ' ' ACE . 5.2 mtm -65.78 -33.27 75.48 Favored 'General case' 0 N--CA 1.513 2.725 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 177.826 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.43 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 29.2 t -72.17 -9.55 58.59 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.222 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 6.3 tt0 -111.48 10.4 21.35 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -176.758 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.1 mt -73.31 -110.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.449 -0.782 . . . . 0.0 110.76 -177.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -81.93 30.84 0.37 Allowed 'General case' 0 N--CA 1.522 3.162 0 O-C-N 120.565 -1.335 . . . . 0.0 111.776 -179.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.43 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -68.56 -24.35 64.61 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.365 -0.835 . . . . 0.0 110.655 178.321 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.53 -30.51 70.84 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.25 -51.4 5.18 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.835 0.454 . . . . 0.0 110.392 -179.416 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 2.1 m -84.48 71.75 10.7 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.414 0.626 . . . . 0.0 109.928 -178.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.75 -41.52 64.11 Favored 'General case' 0 N--CA 1.513 2.692 0 O-C-N 122.071 -0.393 . . . . 0.0 110.765 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -124.76 41.5 3.49 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.243 0.544 . . . . 0.0 110.464 -179.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.7 96.89 3.32 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.494 -0.754 . . . . 0.0 109.125 179.451 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.3 p 62.24 27.77 16.63 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.5 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.164 0 O-C-N 118.489 -2.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.295 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -80.15 -48.67 12.81 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.467 ' HB2' ' CE ' ' A' ' 407' ' ' MET . . . -62.37 159.81 14.59 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 113.414 -1.721 . . . . 0.0 108.396 175.763 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 3.6 mt-10 -83.37 25.71 0.71 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.844 -1.16 . . . . 0.0 108.96 174.877 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.5 ' HA ' ' NE ' ' A' ' 406' ' ' ARG . 7.9 tpm_? -107.56 -69.25 0.85 Allowed 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.897 -1.127 . . . . 0.0 111.847 -174.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' A' ' 404' ' ' ALA . 1.0 OUTLIER -66.24 -31.79 72.83 Favored 'General case' 0 N--CA 1.513 2.7 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.847 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.577 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -74.04 -4.13 33.56 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.035 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.6 OUTLIER -109.47 0.46 19.31 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.943 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.9 mt -74.45 -107.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.735 -0.603 . . . . 0.0 111.195 -177.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -80.91 45.81 0.85 Allowed 'General case' 0 N--CA 1.519 3.011 0 O-C-N 120.96 -1.087 . . . . 0.0 111.12 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.577 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.43 8.16 45.23 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.188 -0.945 . . . . 0.0 112.176 -179.6 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.6 9.26 27.48 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.768 -0.583 . . . . 0.0 111.0 179.056 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.4 -53.04 3.59 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.5 -0.75 . . . . 0.0 109.316 -179.855 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 7.5 t -95.9 -174.81 3.23 Favored 'General case' 0 N--CA 1.503 2.183 0 CA-C-O 121.191 0.52 . . . . 0.0 110.447 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.04 39.25 2.19 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.543 -0.723 . . . . 0.0 110.762 -179.711 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.5 74.52 0.89 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.214 -0.929 . . . . 0.0 109.066 179.61 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -158.04 155.64 29.67 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-O 121.97 0.891 . . . . 0.0 110.863 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.8 t -117.33 -119.38 0.31 Allowed 'General case' 0 N--CA 1.499 1.988 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.622 -179.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.182 0 O-C-N 118.605 -2.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . 0.432 ' CH3' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.218 -0.559 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -82.3 -47.13 12.74 Favored 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.267 . . -52.4 161.4 0.67 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 112.88 -1.964 . . . . 0.0 112.005 177.39 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -85.14 32.18 0.55 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 173.198 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.28 -47.58 5.39 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.134 -0.979 . . . . 0.0 109.514 -177.795 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.432 ' SD ' ' CH3' ' A' ' 402' ' ' ACE . 0.0 OUTLIER -67.07 -30.21 70.2 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 176.63 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.555 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 8.7 t -76.41 -2.42 31.85 Favored 'General case' 0 N--CA 1.501 2.112 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 176.817 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -109.29 0.32 19.51 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.3 mt -71.99 -107.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.474 -0.766 . . . . 0.0 111.083 -178.079 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -81.53 45.47 0.88 Allowed 'General case' 0 N--CA 1.52 3.027 0 O-C-N 120.921 -1.112 . . . . 0.0 111.022 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.555 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.95 7.78 45.67 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.265 -0.897 . . . . 0.0 112.242 -179.327 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.02 12.02 16.69 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.726 -0.609 . . . . 0.0 110.532 178.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.74 -52.76 3.63 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.445 -0.784 . . . . 0.0 109.477 -179.863 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 6.1 t -94.48 173.91 7.39 Favored 'General case' 0 N--CA 1.506 2.359 0 CA-C-O 120.821 0.343 . . . . 0.0 110.988 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.27 -48.15 0.49 Allowed 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 123.52 0.728 . . . . 0.0 111.971 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.74 -46.35 1.72 Allowed 'General case' 0 N--CA 1.5 2.065 0 CA-C-N 119.191 0.905 . . . . 0.0 110.629 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp 67.49 95.83 0.06 Allowed 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 122.838 0.455 . . . . 0.0 110.642 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 48.0 p 53.89 95.71 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.458 0 C-N-CA 124.368 1.067 . . . . 0.0 112.396 177.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.396 0 O-C-N 119.355 -2.091 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . 0.47 ' H3 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.221 -0.446 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -80.46 -48.48 12.77 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -66.2 158.76 27.96 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 113.15 -1.841 . . . . 0.0 109.251 176.177 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 12.0 tp10 -84.46 29.99 0.57 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.097 -1.002 . . . . 0.0 108.68 175.092 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -103.31 -53.32 2.83 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.782 -1.199 . . . . 0.0 110.112 -176.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.47 ' HB2' ' H3 ' ' A' ' 402' ' ' ACE . 2.9 mpp? -66.49 -40.19 89.15 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 176.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.565 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 33.1 t -65.67 -10.74 38.95 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.261 176.181 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 5.7 tt0 -109.2 7.0 25.22 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -176.799 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.3 mt -74.36 -100.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.289 -0.882 . . . . 0.0 110.415 -178.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -84.18 38.81 0.68 Allowed 'General case' 0 N--CA 1.517 2.915 0 O-C-N 120.953 -1.092 . . . . 0.0 110.388 179.267 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.565 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.1 OUTLIER -100.83 17.36 22.31 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.246 -0.909 . . . . 0.0 112.49 -178.112 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.9 mt -82.01 15.82 2.16 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.421 -0.799 . . . . 0.0 110.922 179.184 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 414' ' ' LEU . 2.6 mm? -96.16 -52.08 4.16 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 121.271 -0.893 . . . . 0.0 109.097 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.2 t -91.6 -178.1 4.98 Favored 'General case' 0 N--CA 1.505 2.299 0 CA-C-O 121.399 0.619 . . . . 0.0 110.796 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.04 82.85 1.81 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.665 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -105.98 50.47 0.78 Allowed 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.62 -0.675 . . . . 0.0 109.704 179.75 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -164.2 91.41 0.61 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.211 -0.93 . . . . 0.0 110.24 -179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 43.5 p 48.73 76.36 0.12 Allowed 'General case' 0 N--CA 1.502 2.164 0 CA-C-O 121.361 0.601 . . . . 0.0 111.61 178.228 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.453 0 O-C-N 119.385 -2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . 0.507 ' H3 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.223 -0.319 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -79.57 -51.03 9.82 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.405 ' HB2' ' HE1' ' A' ' 407' ' ' MET . . . -65.44 168.55 7.1 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.215 175.22 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -82.5 15.22 2.63 Favored 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 118.928 -1.109 . . . . 0.0 109.71 175.545 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 406' ' ' ARG . 0.0 OUTLIER -104.2 -59.83 1.67 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.364 -0.835 . . . . 0.0 110.812 -176.833 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.507 ' HB2' ' H3 ' ' A' ' 402' ' ' ACE . 5.7 mtm -66.08 -32.04 73.27 Favored 'General case' 0 N--CA 1.514 2.748 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.345 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.548 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -74.09 -4.19 34.06 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.859 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 33.9 tt0 -112.32 4.05 17.43 Favored 'General case' 0 N--CA 1.502 2.16 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -176.599 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.406 HD11 HG22 ' A' ' 410' ' ' ILE . 8.2 mt -73.76 -109.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.187 -0.945 . . . . 0.0 111.861 -176.679 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 29.46 0.37 Allowed 'General case' 0 N--CA 1.524 3.271 0 O-C-N 120.752 -1.217 . . . . 0.0 111.191 -178.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.548 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -64.29 -19.77 65.64 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.002 -1.061 . . . . 0.0 112.065 179.321 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.08 -38.97 92.51 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -99.9 -47.77 4.91 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.015 -179.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 2.4 m -66.38 -178.67 0.69 Allowed 'General case' 0 N--CA 1.51 2.531 0 O-C-N 122.121 -0.362 . . . . 0.0 111.603 -178.755 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 4.51 -93.67 0.0 OUTLIER 'General case' 0 N--CA 1.533 3.723 0 C-N-CA 125.095 1.358 . . . . 0.0 113.661 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.31 78.85 0.25 Allowed 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 123.146 1.45 . . . . 0.0 108.142 178.686 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 418' ' ' LYS . 0.0 OUTLIER -132.65 65.76 1.58 Allowed 'General case' 0 N--CA 1.49 1.553 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.406 -177.231 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 2.5 t 37.94 79.65 0.03 OUTLIER 'General case' 0 N--CA 1.525 3.284 0 C-N-CA 123.597 0.759 . . . . 0.0 112.69 178.402 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 118.926 -2.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.254 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -80.13 -41.6 25.12 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -68.44 158.97 32.55 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 113.612 -1.631 . . . . 0.0 109.469 176.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.3 mt-10 -85.44 32.92 0.56 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.491 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -66.86 0.96 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.046 -1.034 . . . . 0.0 111.087 -175.404 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.402 ' HE2' ' HB2' ' A' ' 407' ' ' MET . 5.8 mtm -57.16 -44.48 83.52 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.691 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.476 ' O ' ' HG3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -62.62 -42.08 99.38 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.02 177.589 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 2.4 tp60 -51.45 -24.74 5.35 Favored 'General case' 0 N--CA 1.511 2.613 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 178.27 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 6.3 mt -81.66 -65.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 121.821 -0.55 . . . . 0.0 110.401 179.504 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.34 19.66 18.37 Favored 'General case' 0 N--CA 1.518 2.953 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.114 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 408' ' ' SER . 27.1 mtt180 -60.39 -21.39 62.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.839 -1.163 . . . . 0.0 110.902 178.187 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 413' ' ' LEU . 0.8 OUTLIER -66.93 -29.66 69.59 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 120.96 0.409 . . . . 0.0 110.346 179.1 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.92 -45.31 9.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.54 75.64 10.13 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.8 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 417' ' ' LYS . 0.8 OUTLIER -62.79 -31.59 72.6 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 121.836 -0.54 . . . . 0.0 110.956 -179.656 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' A' ' 417' ' ' LYS . 11.6 ttpp -121.17 42.07 3.16 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.63 -0.669 . . . . 0.0 109.661 179.781 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.75 -179.46 2.12 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.24 -0.912 . . . . 0.0 110.509 -179.648 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.9 t -136.27 175.92 9.17 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.814 -178.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.49 0 O-C-N 118.574 -2.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.443 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -79.79 -47.78 14.66 Favored 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -65.9 160.72 22.76 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.397 176.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.03 29.09 0.57 Allowed 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.36 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.08 -62.01 1.4 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.99 -1.069 . . . . 0.0 110.884 -175.676 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 6.5 mtm -59.95 -38.8 83.49 Favored 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.862 179.419 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 9.2 t -79.7 4.52 15.95 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 177.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 412' ' ' ARG . 0.9 OUTLIER -102.54 -43.67 5.57 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.647 0.737 . . . . 0.0 109.709 -179.723 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.4 mt -89.51 -45.46 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.057 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -95.55 34.66 1.44 Allowed 'General case' 0 N--CA 1.509 2.515 0 CA-C-O 120.761 0.315 . . . . 0.0 111.3 -179.288 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.44 ' HD3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -90.19 -7.4 53.7 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.024 -1.047 . . . . 0.0 111.625 178.444 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.71 -28.66 67.52 Favored 'General case' 0 N--CA 1.514 2.763 0 CA-C-N 118.302 0.501 . . . . 0.0 109.947 178.636 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.05 -15.23 62.87 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 119.449 -0.31 . . . . 0.0 110.74 178.407 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 67.8 m -57.64 126.93 29.51 Favored 'General case' 0 N--CA 1.503 2.191 0 CA-C-N 118.886 0.766 . . . . 0.0 109.705 179.389 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.77 -54.94 23.38 Favored 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -127.45 87.89 2.7 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.116 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.58 178.18 3.71 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 121.544 -0.723 . . . . 0.0 111.149 -178.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.11 -61.54 0.66 Allowed 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -178.341 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.042 -2.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.437 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -79.86 -49.21 12.29 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -63.68 156.72 26.05 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.4 -1.727 . . . . 0.0 108.575 175.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.75 30.09 0.51 Allowed 'General case' 0 N--CA 1.507 2.386 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 174.362 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.8 -59.06 1.8 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.92 -1.112 . . . . 0.0 110.789 -176.213 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -62.39 -33.55 74.98 Favored 'General case' 0 N--CA 1.519 3.024 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.193 179.203 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 31.2 t -81.06 -3.99 53.74 Favored 'General case' 0 N--CA 1.499 1.999 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.369 177.768 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.515 ' HG2' ' HD2' ' A' ' 412' ' ' ARG . 0.4 OUTLIER -100.67 -8.59 22.71 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 123.317 0.647 . . . . 0.0 111.9 179.824 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.406 ' HB ' ' HD3' ' A' ' 411' ' ' LYS . 2.1 mt -95.12 -52.8 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.745 -0.597 . . . . 0.0 109.683 -179.396 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.406 ' HD3' ' HB ' ' A' ' 410' ' ' ILE . 0.9 OUTLIER -93.35 35.06 1.11 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.139 179.084 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.515 ' HD2' ' HG2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -64.42 -27.21 68.84 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.353 -0.842 . . . . 0.0 108.95 177.417 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.28 -31.13 69.95 Favored 'General case' 0 N--CA 1.505 2.325 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 176.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -38.82 11.88 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.373 0.669 . . . . 0.0 110.428 179.521 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.11 -17.33 40.49 Favored 'General case' 0 N--CA 1.515 2.816 0 O-C-N 121.441 -0.787 . . . . 0.0 113.1 -178.686 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 36.83 49.76 0.79 Allowed 'General case' 0 N--CA 1.527 3.42 0 C-N-CA 124.385 1.074 . . . . 0.0 112.604 179.675 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 176.99 8.15 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.524 -0.735 . . . . 0.0 109.585 -178.725 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.83 -171.46 0.17 Allowed 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.753 -0.592 . . . . 0.0 111.812 178.526 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 3.0 p -104.17 -162.23 0.88 Allowed 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.904 -0.497 . . . . 0.0 111.001 -177.267 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.274 0 O-C-N 118.315 -2.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.342 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -80.72 -46.03 16.16 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -65.29 168.39 7.05 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 113.639 -1.619 . . . . 0.0 109.188 176.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -83.11 19.92 1.34 Allowed 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.397 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.441 ' HD3' ' HA ' ' A' ' 406' ' ' ARG . 2.3 tpp85 -109.05 -66.69 1.03 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.407 -0.808 . . . . 0.0 111.501 -173.811 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.452 ' HE2' ' HB2' ' A' ' 407' ' ' MET . 8.0 mtm -64.43 -38.05 89.66 Favored 'General case' 0 N--CA 1.513 2.691 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.709 179.559 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.496 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 0.2 OUTLIER -65.92 -40.47 91.48 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.463 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.528 ' HA ' ' CG ' ' A' ' 412' ' ' ARG . 10.2 tt0 -53.07 -29.77 32.14 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.167 178.476 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -69.12 -27.46 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 122.147 -0.345 . . . . 0.0 111.042 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -94.83 -12.16 27.51 Favored 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.528 ' CG ' ' HA ' ' A' ' 409' ' ' GLN . 0.3 OUTLIER -95.69 17.54 14.77 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 118.895 0.77 . . . . 0.0 112.127 -179.463 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.86 -40.89 81.25 Favored 'General case' 0 N--CA 1.517 2.9 0 O-C-N 121.095 -1.003 . . . . 0.0 109.93 179.091 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 2.2 pp -74.14 -6.72 49.34 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 1.6 m -71.8 100.41 2.37 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-N 119.723 1.147 . . . . 0.0 109.721 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -51.58 69.19 Favored 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.545 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.495 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -144.14 73.74 1.39 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.834 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.48 ' HD2' ' CG2' ' A' ' 419' ' ' THR . 0.0 OUTLIER -173.51 105.2 0.13 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.862 -0.524 . . . . 0.0 109.891 -178.915 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 418' ' ' LYS . 22.8 p 57.61 90.9 0.04 OUTLIER 'General case' 0 N--CA 1.508 2.468 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.299 178.704 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.455 0 O-C-N 119.227 -2.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.461 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 1.9 pm0 -80.02 -37.88 33.18 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 403' ' ' GLN . . . -71.67 161.11 31.49 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 113.867 -1.515 . . . . 0.0 108.943 176.862 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.7 mm-40 -84.78 31.09 0.54 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 174.466 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.1 -63.6 1.27 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 111.094 -175.368 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -62.97 -36.98 85.3 Favored 'General case' 0 N--CA 1.512 2.63 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.705 -179.563 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.7 t -87.77 12.39 13.02 Favored 'General case' 0 C--O 1.203 -1.386 0 CA-C-O 119.146 -0.454 . . . . 0.0 109.997 178.189 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.541 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 4.4 tt0 -100.67 -51.19 3.65 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-O 121.945 0.878 . . . . 0.0 108.824 179.664 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.9 mt -65.58 -38.48 82.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.26 178.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.519 ' HD2' ' N ' ' A' ' 411' ' ' LYS . 0.1 OUTLIER -98.47 26.13 5.77 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 122.215 -0.303 . . . . 0.0 111.081 -179.369 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.541 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 1.4 mtp85 -59.43 -22.06 60.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.119 -0.988 . . . . 0.0 111.374 178.752 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.2 mt -60.89 -38.92 87.36 Favored 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.016 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.35 -37.74 10.82 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.411 179.014 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.89 73.98 7.89 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 76.29 5.77 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.64 0.733 . . . . 0.0 109.147 -179.733 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 417' ' ' LYS . 11.9 ttpp -107.25 49.19 0.81 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.441 0.638 . . . . 0.0 109.3 179.914 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.474 ' HE2' HG21 ' A' ' 419' ' ' THR . 0.0 OUTLIER -155.38 93.03 1.46 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.081 -1.012 . . . . 0.0 110.121 -179.681 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.474 HG21 ' HE2' ' A' ' 418' ' ' LYS . 3.9 p 47.28 37.24 5.5 Favored 'General case' 0 N--CA 1.515 2.816 0 C-N-CA 122.726 0.41 . . . . 0.0 111.566 178.646 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.022 -2.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.542 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -81.07 -47.69 13.2 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -57.7 163.92 2.32 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 113.488 -1.687 . . . . 0.0 109.752 176.111 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 7.9 mm-40 -83.44 27.45 0.6 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.024 -1.048 . . . . 0.0 108.648 175.039 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -107.81 -67.89 0.93 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.826 -1.171 . . . . 0.0 111.296 -175.536 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.413 ' HE2' ' HB2' ' A' ' 407' ' ' MET . 5.8 mtm -64.82 -34.78 79.18 Favored 'General case' 0 N--CA 1.515 2.782 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.155 -179.779 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.545 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.5 t -87.75 12.27 13.26 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.568 177.703 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 4.2 tp-100 -102.03 -30.13 11.37 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 123.674 0.79 . . . . 0.0 110.686 -179.88 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.8 mt -84.47 -52.17 12.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.409 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.06 29.17 2.51 Favored 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.714 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 408' ' ' SER . 4.3 mtp85 -56.94 -27.76 61.41 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.929 -1.107 . . . . 0.0 110.138 178.504 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.48 -42.54 70.83 Favored 'General case' 0 N--CA 1.515 2.797 0 CA-C-O 121.813 0.816 . . . . 0.0 109.594 178.301 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.51 -30.35 13.37 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.157 179.336 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.0 122.05 16.11 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.527 -0.733 . . . . 0.0 110.851 -178.817 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -113.18 23.56 13.19 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.976 -0.452 . . . . 0.0 110.593 179.193 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 52.42 1.82 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.014 -1.054 . . . . 0.0 108.986 -179.78 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -81.05 84.39 6.5 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.435 -0.79 . . . . 0.0 110.007 -179.291 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 39.1 p 47.47 76.97 0.1 Allowed 'General case' 0 N--CA 1.506 2.329 0 CA-C-O 121.478 0.656 . . . . 0.0 111.819 178.342 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.547 0 O-C-N 119.476 -2.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 402' ' ' ACE . . . . . 0.505 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.224 -0.274 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -79.9 -50.81 9.94 Favored 'General case' 0 N--CA 1.505 2.32 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -66.58 164.7 16.12 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 113.966 -1.47 . . . . 0.0 108.079 175.577 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 5.6 mm-40 -82.73 21.09 1.04 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.847 -1.158 . . . . 0.0 109.04 174.819 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -103.44 -64.16 1.11 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.183 -0.948 . . . . 0.0 109.165 -177.445 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.505 ' HB2' ' H1 ' ' A' ' 402' ' ' ACE . 7.1 mtm -66.27 -34.75 78.72 Favored 'General case' 0 N--CA 1.514 2.744 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.549 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.581 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.2 OUTLIER -71.43 -3.49 21.23 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 175.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 1.3 tp-100 -108.5 2.59 22.35 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -177.489 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.5 mt -73.25 -102.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.548 -0.72 . . . . 0.0 110.591 -178.056 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -83.39 40.96 0.75 Allowed 'General case' 0 N--CA 1.522 3.137 0 O-C-N 120.952 -1.092 . . . . 0.0 110.716 179.841 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.581 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -100.9 12.36 37.77 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.22 -0.925 . . . . 0.0 113.103 -178.047 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.0 mt -84.31 14.64 4.19 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.519 -0.738 . . . . 0.0 110.803 178.919 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -97.54 -51.83 3.99 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 121.409 -0.807 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.03 177.78 5.87 Favored 'General case' 0 N--CA 1.508 2.447 0 CA-C-O 121.628 0.728 . . . . 0.0 110.679 -179.926 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -74.6 70.75 1.84 Allowed 'General case' 0 N--CA 1.507 2.424 0 CA-C-O 121.829 0.823 . . . . 0.0 110.603 -179.453 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 68.86 6.6 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.895 -1.128 . . . . 0.0 108.203 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.429 ' HD2' ' CG2' ' A' ' 419' ' ' THR . 0.0 OUTLIER -140.49 106.41 5.17 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.741 -0.6 . . . . 0.0 110.538 -178.828 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.429 ' CG2' ' HD2' ' A' ' 418' ' ' LYS . 7.3 p 43.55 48.38 6.32 Favored 'General case' 0 N--CA 1.514 2.734 0 C-N-CA 123.588 0.755 . . . . 0.0 112.03 178.002 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 118.875 -2.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.532 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -66.83 156.47 35.53 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 113.152 -1.84 . . . . 0.0 109.34 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.33 34.2 0.57 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 175.221 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.86 -70.01 0.81 Allowed 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.939 -1.101 . . . . 0.0 111.704 -174.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.532 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 0.5 OUTLIER -61.67 -28.35 69.33 Favored 'General case' 0 N--CA 1.516 2.875 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.155 -179.433 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 1.9 t -79.46 -34.31 41.62 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 177.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.542 ' HA ' ' CG ' ' A' ' 412' ' ' ARG . 17.6 tt0 -54.21 -43.15 70.53 Favored 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 123.171 0.588 . . . . 0.0 111.024 178.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.8 mt -60.53 -26.92 39.04 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.01 -4.88 42.36 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.542 ' CG ' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -91.87 22.98 3.88 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 119.477 1.035 . . . . 0.0 110.849 178.672 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 413' ' ' LEU . 4.1 mt -60.08 -23.47 63.82 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.194 -0.941 . . . . 0.0 110.38 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.7 -18.11 56.94 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.74 0.416 . . . . 0.0 110.748 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.73 154.57 36.35 Favored 'General case' 0 N--CA 1.507 2.396 0 CA-C-N 119.142 0.883 . . . . 0.0 110.54 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.56 -72.24 0.06 Allowed 'General case' 0 N--CA 1.515 2.787 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.39 91.19 2.36 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 119.389 0.995 . . . . 0.0 110.362 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.414 ' HE3' ' HB2' ' A' ' 418' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.32 0 O-C-N 121.566 -0.709 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 N--CA 1.504 2.27 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.261 . . -57.75 164.14 2.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 113.044 -1.889 . . . . 0.0 112.005 177.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.03 31.99 0.54 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 173.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 406' ' ' ARG . . . . . 0.435 ' O ' HG13 ' A' ' 410' ' ' ILE . 0.0 OUTLIER -98.38 -51.01 4.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.873 -1.142 . . . . 0.0 108.828 -177.401 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -27.68 69.51 Favored 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 176.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 1.6 t -68.07 -49.03 63.86 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.646 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 2.6 tt0 -52.65 -48.66 66.3 Favored 'General case' 0 N--CA 1.51 2.555 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.771 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 410' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 406' ' ' ARG . 8.5 mt -66.51 -41.71 88.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.466 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -96.08 27.75 3.5 Favored 'General case' 0 N--CA 1.508 2.434 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.646 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -66.39 -16.64 64.24 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.861 -1.149 . . . . 0.0 111.507 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 413' ' ' LEU . 3.6 mt -60.42 -31.33 70.3 Favored 'General case' 0 N--CA 1.51 2.555 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 175.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -29.09 21.36 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.428 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 42.9 m -57.69 107.42 0.45 Allowed 'General case' 0 N--CA 1.505 2.322 0 CA-C-N 118.98 0.809 . . . . 0.0 109.906 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.85 88.91 5.24 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.576 -0.703 . . . . 0.0 109.354 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.94 67.28 9.75 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 121.598 0.713 . . . . 0.0 110.441 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 . . . . . 0 N--CA 1.505 2.3 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.271 . . -79.55 154.5 28.74 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-N 111.878 -2.419 . . . . 0.0 107.446 175.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 407' ' ' MET . 1.6 pm0 -66.73 118.62 10.53 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 101.737 -3.431 . . . . 0.0 101.737 171.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 406' ' ' ARG . . . . . 0.434 ' HG3' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -57.06 68.59 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.34 0 CA-C-O 121.474 0.654 . . . . 0.0 112.758 -175.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -90.71 -33.59 15.72 Favored 'General case' 0 N--CA 1.515 2.821 0 O-C-N 121.346 -0.846 . . . . 0.0 109.978 178.61 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 33.4 t -85.79 -27.46 25.15 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.499 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 1.6 tp-100 -54.75 -40.25 69.14 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 123.395 0.678 . . . . 0.0 110.539 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.8 mt -72.18 -48.8 47.26 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.906 0 CA-C-O 120.967 0.413 . . . . 0.0 109.924 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 34.76 1.49 Allowed 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.205 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.519 ' HA ' ' HB2' ' A' ' 415' ' ' SER . 8.8 mtm105 -63.58 -27.35 69.19 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.967 -1.083 . . . . 0.0 109.546 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 413' ' ' LEU . 2.6 mt -57.93 -33.6 68.98 Favored 'General case' 0 N--CA 1.509 2.521 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.47 -44.93 10.35 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.179 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 415' ' ' SER . . . . . 0.519 ' HB2' ' HA ' ' A' ' 412' ' ' ARG . 2.9 m -55.84 -35.43 66.4 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.893 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.84 -31.24 48.67 Favored 'General case' 0 N--CA 1.508 2.468 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.768 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 33.89 3.6 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.444 -0.785 . . . . 0.0 110.105 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 418' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.5 2.074 0 O-C-N 121.167 -0.958 . . . . 0.0 109.918 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 N--CA 1.503 2.177 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.288 . . -64.37 161.6 16.6 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.551 -1.658 . . . . 0.0 111.371 177.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.78 33.63 0.59 Allowed 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.75 -50.69 5.77 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.062 -1.024 . . . . 0.0 108.285 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -65.5 -27.33 68.4 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.413 176.268 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.486 ' O ' ' HG3' ' A' ' 412' ' ' ARG . 1.2 t -76.28 -42.61 44.91 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.43 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 11.6 tt0 -51.13 -29.77 14.49 Favored 'General case' 0 N--CA 1.516 2.87 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -71.86 -46.04 62.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 411' ' ' LYS . . . . . 0.474 ' HD3' ' C ' ' A' ' 411' ' ' LYS . 0.1 OUTLIER -96.54 12.22 32.34 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 122.872 0.469 . . . . 0.0 111.926 -179.082 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -70.5 2.21 4.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.237 -1.539 . . . . 0.0 113.044 -179.587 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 413' ' ' LEU . 5.7 mt -57.13 -41.55 79.27 Favored 'General case' 0 N--CA 1.515 2.795 0 CA-C-N 119.102 0.864 . . . . 0.0 109.711 178.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -21.46 32.94 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.253 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.9 m -70.87 -172.73 0.69 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.422 -0.798 . . . . 0.0 110.441 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -47.2 -45.77 23.45 Favored 'General case' 0 N--CA 1.52 3.033 0 O-C-N 121.192 -0.942 . . . . 0.0 111.186 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 417' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 417' ' ' LYS . 0.3 OUTLIER 35.5 81.56 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.372 0 C-N-CA 124.785 1.234 . . . . 0.0 109.878 177.642 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm . . . . . 0 N--CA 1.486 1.326 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.002 -175.945 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.506 2.348 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.28 . . -51.98 162.2 0.49 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.033 -1.894 . . . . 0.0 111.756 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -85.12 32.57 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 406' ' ' ARG . . . . . 0.446 ' HD2' ' HA ' ' A' ' 406' ' ' ARG . 6.7 tpt85 -97.03 -46.8 6.04 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.928 -1.107 . . . . 0.0 109.322 -177.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -29.15 69.55 Favored 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.522 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 21.8 t -76.81 -11.17 59.79 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.396 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -109.18 7.62 25.54 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.9 mt -76.26 -105.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.367 -0.833 . . . . 0.0 110.643 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.51 44.54 0.9 Allowed 'General case' 0 N--CA 1.518 2.97 0 O-C-N 120.997 -1.064 . . . . 0.0 111.029 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.522 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -97.32 3.84 51.04 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.248 -0.908 . . . . 0.0 112.596 -179.453 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.57 ' N ' HD23 ' A' ' 413' ' ' LEU . 0.8 OUTLIER -87.58 -46.34 9.64 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.775 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -38.18 65.77 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.902 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.33 153.67 37.69 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-O 121.369 0.604 . . . . 0.0 110.809 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.73 28.68 8.58 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.956 -0.465 . . . . 0.0 110.657 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 417' ' ' LYS . . . . . 0.469 ' HE2' ' HB2' ' A' ' 417' ' ' LYS . 1.3 mppt? -101.9 58.26 0.83 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.259 -0.901 . . . . 0.0 109.666 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.296 0 O-C-N 121.567 -0.708 . . . . 0.0 109.848 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 403' ' ' GLN . . . . . 0.601 HE21 ' N ' ' A' ' 403' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.504 2.249 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.53 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -61.31 166.87 3.54 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.393 -1.73 . . . . 0.0 109.299 176.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.4 tp10 -84.13 21.01 1.44 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.16 -0.963 . . . . 0.0 109.448 175.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -105.55 -66.02 1.01 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.387 -0.821 . . . . 0.0 109.977 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.53 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 3.7 mtm -66.34 -26.37 67.26 Favored 'General case' 0 N--CA 1.513 2.716 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.312 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -89.6 8.81 29.45 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.425 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.575 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 13.9 tt0 -102.94 -45.37 4.98 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-O 121.446 0.641 . . . . 0.0 110.924 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.8 mt -64.42 -45.87 94.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.266 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.1 33.94 1.46 Allowed 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.483 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.575 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 1.5 mtp85 -69.91 -25.97 63.94 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.893 -1.129 . . . . 0.0 109.474 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.439 ' N ' HD23 ' A' ' 413' ' ' LEU . 0.6 OUTLIER -63.87 -43.48 95.93 Favored 'General case' 0 N--CA 1.509 2.483 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 177.233 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.71 -35.52 65.14 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.756 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 44.5 m -59.97 111.4 1.47 Allowed 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 114.47 6.7 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.874 -0.517 . . . . 0.0 109.998 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 417' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' A' ' 417' ' ' LYS . 0.0 OUTLIER 57.77 91.21 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 121.963 0.887 . . . . 0.0 108.912 179.417 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.475 ' HB3' ' HE2' ' A' ' 418' ' ' LYS . 4.6 ttpt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 122.238 1.018 . . . . 0.0 110.303 -177.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.503 2.177 0 N-CA-C 104.676 -2.342 . . . . 0.0 104.676 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.649 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -68.91 149.24 49.1 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.112 -1.858 . . . . 0.0 107.705 175.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.1 pm0 -84.18 32.44 0.49 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.089 -1.007 . . . . 0.0 108.468 175.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -104.4 -60.6 1.57 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.312 -0.868 . . . . 0.0 110.396 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.649 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 1.4 ptp -63.89 -34.49 78.05 Favored 'General case' 0 N--CA 1.515 2.803 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.556 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 11.7 t -75.21 -4.67 40.29 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.8 OUTLIER -109.03 2.97 21.61 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -177.241 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.5 mt -77.14 -112.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.596 -0.69 . . . . 0.0 109.833 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -76.45 46.31 0.42 Allowed 'General case' 0 N--CA 1.527 3.417 0 CA-C-N 119.748 1.158 . . . . 0.0 111.924 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.556 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.97 -5.15 31.08 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.082 -1.011 . . . . 0.0 112.684 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.8 OUTLIER -72.91 -48.87 33.34 Favored 'General case' 0 N--CA 1.511 2.579 0 CA-C-O 121.582 0.706 . . . . 0.0 109.62 179.78 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -36.48 80.68 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.786 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.7 t -79.39 175.87 10.21 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.784 0.802 . . . . 0.0 111.122 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.92 40.26 0.39 Allowed 'General case' 0 N--CA 1.513 2.721 0 O-C-N 121.631 -0.668 . . . . 0.0 112.496 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.48 77.73 1.57 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.402 -1.436 . . . . 0.0 110.773 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.244 0 O-C-N 121.588 -0.695 . . . . 0.0 109.686 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 403' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 4.6 pm0 . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.441 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -74.93 149.45 39.41 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 113.228 -1.805 . . . . 0.0 108.363 176.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.7 mm-40 -84.09 35.1 0.52 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 174.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -102.46 -59.57 1.68 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.23 -0.919 . . . . 0.0 109.856 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.441 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 1.8 ptp -67.38 -33.08 74.47 Favored 'General case' 0 N--CA 1.513 2.696 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.55 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 29.4 t -68.75 -10.93 59.38 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.515 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.8 OUTLIER -108.44 7.38 26.95 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -177.201 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 410' ' ' ILE . . . . . 0.445 HG22 ' HD2' ' A' ' 411' ' ' LYS . 7.2 mt -75.66 -103.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.512 -0.743 . . . . 0.0 110.578 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 411' ' ' LYS . . . . . 0.445 ' HD2' HG22 ' A' ' 410' ' ' ILE . 11.1 mptt -83.67 43.24 0.89 Allowed 'General case' 0 N--CA 1.517 2.891 0 O-C-N 120.985 -1.072 . . . . 0.0 110.343 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.55 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -99.02 12.4 36.13 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.342 -0.849 . . . . 0.0 112.447 -178.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.597 ' N ' HD23 ' A' ' 413' ' ' LEU . 0.7 OUTLIER -92.39 18.06 8.97 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.587 -0.695 . . . . 0.0 109.844 178.276 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -48.57 4.61 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.34 -0.85 . . . . 0.0 110.842 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.2 t -86.77 178.93 6.86 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-O 121.459 0.647 . . . . 0.0 111.771 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.13 27.28 7.85 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 121.817 -0.552 . . . . 0.0 111.283 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.08 118.65 35.35 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 418' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.987 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.958 -176.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 N--CA 1.504 2.236 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -77.97 156.47 30.19 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 113.745 -1.57 . . . . 0.0 108.165 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.1 tm-20 -83.92 29.3 0.55 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.0 -1.063 . . . . 0.0 108.521 175.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -99.37 -55.47 2.67 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.128 -0.982 . . . . 0.0 109.027 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -66.73 -31.22 71.73 Favored 'General case' 0 N--CA 1.515 2.8 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.469 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 37.1 t -81.62 2.12 30.86 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.64 177.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.52 ' HA ' ' CD ' ' A' ' 412' ' ' ARG . 1.1 tm0? -101.94 -22.4 14.32 Favored 'General case' 0 N--CA 1.508 2.433 0 O-C-N 121.596 -0.69 . . . . 0.0 111.737 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 5.5 mt -90.63 -51.9 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 CA-C-O 121.202 0.525 . . . . 0.0 110.046 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 32.46 1.66 Allowed 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.202 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.52 ' CD ' ' HA ' ' A' ' 409' ' ' GLN . 7.5 mtp180 -62.94 -29.2 70.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.247 -0.908 . . . . 0.0 109.197 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 413' ' ' LEU . 2.3 mt -57.08 -36.96 71.2 Favored 'General case' 0 N--CA 1.515 2.798 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.28 -38.27 17.7 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.098 178.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.3 83.43 3.75 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.515 0.674 . . . . 0.0 109.421 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -82.71 69.64 9.54 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.97 67.99 9.95 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.746 -0.596 . . . . 0.0 109.674 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 . . . . . 0 N--CA 1.502 2.141 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.645 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -66.13 153.25 42.86 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.36 -1.746 . . . . 0.0 108.467 175.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -83.82 31.4 0.48 Allowed 'General case' 0 N--CA 1.509 2.482 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 174.514 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 406' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 406' ' ' ARG . 0.0 OUTLIER -106.93 -65.56 1.08 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.345 -0.847 . . . . 0.0 112.076 -174.516 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.645 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 1.5 ptp -63.55 -29.96 71.15 Favored 'General case' 0 N--CA 1.514 2.729 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.086 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.5 t -89.78 12.7 16.34 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.52 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 6.8 tp-100 -107.11 -49.85 3.2 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.906 0.86 . . . . 0.0 110.29 -177.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.5 mt -68.1 -43.54 85.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.261 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 28.65 2.61 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.149 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.52 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.3 OUTLIER -62.77 -22.89 66.92 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.295 -0.878 . . . . 0.0 110.938 178.268 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 413' ' ' LEU . 3.1 mt -60.91 -38.25 85.07 Favored 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -41.84 13.4 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.5 90.97 3.31 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.607 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -77.25 83.71 3.71 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.39 41.32 2.84 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.497 ' HE3' ' HB3' ' A' ' 418' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.248 0 O-C-N 121.363 -0.836 . . . . 0.0 111.456 -179.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 N--CA 1.503 2.224 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.404 ' HB3' ' HE2' ' A' ' 407' ' ' MET . . . -61.58 159.41 13.17 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.373 -1.74 . . . . 0.0 108.363 175.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 22.5 mm-40 -83.7 24.71 0.84 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.986 -1.071 . . . . 0.0 109.874 176.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -103.79 -64.23 1.12 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.413 -0.804 . . . . 0.0 109.216 -177.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.404 ' HE2' ' HB3' ' A' ' 404' ' ' ALA . 2.9 mpp? -66.23 -43.02 87.81 Favored 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.454 ' CB ' ' HG3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -60.75 -35.54 76.64 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.082 176.904 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 4.3 tp-100 -50.68 -24.22 3.21 Favored 'General case' 0 N--CA 1.516 2.864 0 O-C-N 121.533 -0.729 . . . . 0.0 111.764 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -88.58 -60.53 2.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 O-C-N 122.034 -0.416 . . . . 0.0 110.156 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.35 22.44 12.52 Favored 'General case' 0 N--CA 1.521 3.084 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.494 ' HD3' ' HA ' ' A' ' 409' ' ' GLN . 13.1 mtp180 -59.21 -22.89 61.74 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.895 -1.128 . . . . 0.0 110.841 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 413' ' ' LEU . 3.3 mt -57.68 -28.96 64.27 Favored 'General case' 0 N--CA 1.508 2.462 0 CA-C-O 120.813 0.339 . . . . 0.0 110.156 178.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 414' ' ' LEU . 1.2 mm? -98.75 8.28 45.13 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.699 0.399 . . . . 0.0 111.637 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.55 78.11 7.31 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.853 -1.154 . . . . 0.0 109.824 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -29.09 36.68 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 121.961 -0.462 . . . . 0.0 111.166 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -121.52 36.42 4.62 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.508 -0.745 . . . . 0.0 110.706 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt . . . . . 0 N--CA 1.508 2.439 0 O-C-N 121.284 -0.885 . . . . 0.0 110.751 179.075 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 N--CA 1.503 2.222 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.527 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -72.26 151.39 42.86 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.082 -1.872 . . . . 0.0 107.935 175.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -84.75 30.71 0.55 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.943 -1.098 . . . . 0.0 108.571 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -106.41 -65.7 1.06 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.137 -0.977 . . . . 0.0 111.883 -174.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.527 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 1.6 pmm? -59.68 -37.34 78.53 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.526 -178.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 25.9 t -69.7 -37.17 76.48 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.578 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 44.2 tt0 -53.09 -29.96 33.53 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 122.732 0.413 . . . . 0.0 111.527 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 6.7 mt -72.98 -29.01 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 122.26 -0.275 . . . . 0.0 111.207 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -94.72 -4.74 46.91 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.578 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -89.96 23.49 2.76 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.003 -1.061 . . . . 0.0 110.596 178.694 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.441 ' N ' HD23 ' A' ' 413' ' ' LEU . 5.1 mt -59.88 -21.76 61.45 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 121.134 -0.979 . . . . 0.0 110.543 178.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.67 -19.38 45.36 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 122.739 0.416 . . . . 0.0 110.612 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.55 89.2 2.72 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 119.222 0.919 . . . . 0.0 109.221 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.44 90.49 0.98 Allowed 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 417' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.2 OUTLIER 56.58 74.92 0.38 Allowed 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 122.258 1.028 . . . . 0.0 108.502 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.364 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 403' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 2.7 pm0 . . . . . 0 N--CA 1.5 2.062 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 403' ' ' GLN 0.254 . . -83.38 157.21 22.61 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 113.615 -1.63 . . . . 0.0 109.31 178.104 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.08 36.49 0.63 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 174.308 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.22 -58.78 1.81 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.0 108.86 -176.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -67.78 -29.44 68.64 Favored 'General case' 0 N--CA 1.512 2.664 0 CA-C-N 115.089 -0.959 . . . . 0.0 108.696 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.561 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 47.1 t -84.25 5.91 24.81 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.034 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 57.3 tt0 -100.99 -14.78 17.72 Favored 'General case' 0 N--CA 1.509 2.514 0 C-N-CA 123.538 0.735 . . . . 0.0 111.122 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.4 mt -88.1 -51.04 13.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 O-C-N 121.762 -0.586 . . . . 0.0 109.641 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.11 30.82 2.04 Favored 'General case' 0 N--CA 1.511 2.58 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.825 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -60.97 -29.36 69.62 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.101 -0.999 . . . . 0.0 109.367 178.072 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.86 -37.68 71.64 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-O 121.58 0.705 . . . . 0.0 109.27 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.57 -34.57 15.45 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.027 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.4 t -80.25 58.52 3.08 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.619 -0.676 . . . . 0.0 111.03 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.72 -17.75 57.28 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.794 -0.567 . . . . 0.0 111.319 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.12 38.41 2.55 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.502 2.157 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 . . . . . 0 N--CA 1.503 2.22 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.469 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -69.91 162.82 27.25 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.245 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.9 OUTLIER -82.59 23.6 0.77 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.889 -1.132 . . . . 0.0 108.795 174.757 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.98 -70.07 0.81 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.979 -1.075 . . . . 0.0 111.509 -175.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 7.2 mtm -58.35 -42.5 87.03 Favored 'General case' 0 N--CA 1.514 2.753 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.201 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 32.1 t -66.01 -38.42 88.4 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.658 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 18.8 tt0 -52.31 -29.14 21.96 Favored 'General case' 0 N--CA 1.513 2.694 0 C-N-CA 122.78 0.432 . . . . 0.0 111.925 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.28 -26.07 22.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 122.244 -0.285 . . . . 0.0 110.608 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 411' ' ' LYS . . . . . 0.48 ' N ' ' HD3' ' A' ' 411' ' ' LYS . 0.0 OUTLIER -96.55 -21.42 17.69 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 122.69 0.396 . . . . 0.0 111.99 -179.265 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.658 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -85.93 18.84 2.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.459 -0.775 . . . . 0.0 112.009 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 6.0 mt -55.04 -35.81 64.86 Favored 'General case' 0 N--CA 1.522 3.138 0 O-C-N 121.342 -0.849 . . . . 0.0 109.953 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.47 -9.87 38.64 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 123.294 0.638 . . . . 0.0 112.372 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 67.3 m -71.96 85.14 0.98 Allowed 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 119.236 0.925 . . . . 0.0 109.522 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.26 -48.89 71.68 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.746 -0.596 . . . . 0.0 109.697 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -139.39 75.1 1.5 Allowed 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.519 0.676 . . . . 0.0 109.353 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.504 2.268 0 O-C-N 121.654 -0.654 . . . . 0.0 110.542 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 N--CA 1.504 2.236 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.636 ' HB3' ' HE2' ' A' ' 407' ' ' MET . . . -68.39 168.67 12.14 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.424 -1.717 . . . . 0.0 108.583 176.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.25 13.04 3.75 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.334 -0.854 . . . . 0.0 109.537 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -104.21 -60.13 1.63 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.159 -0.963 . . . . 0.0 110.873 -175.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.636 ' HE2' ' HB3' ' A' ' 404' ' ' ALA . 2.7 mpp? -67.15 -36.35 81.64 Favored 'General case' 0 N--CA 1.509 2.49 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -4.27 23.49 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.788 176.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -96.68 -28.72 14.19 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.842 -0.537 . . . . 0.0 109.898 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 2.4 mt -94.79 -50.66 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.6 27.94 2.83 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.035 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -26.14 60.77 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.164 -0.96 . . . . 0.0 110.331 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.18 -37.66 69.9 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-O 121.577 0.704 . . . . 0.0 109.429 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.91 -30.32 12.44 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.028 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.58 -55.34 4.72 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.475 -0.765 . . . . 0.0 112.567 -177.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.54 -45.46 11.76 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.984 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.34 69.12 10.44 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.411 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.501 2.103 0 O-C-N 121.58 -0.7 . . . . 0.0 110.647 -178.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 N--CA 1.505 2.302 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.273 . . -53.2 160.64 1.04 Allowed 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.448 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.5 32.61 0.57 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -95.64 -46.94 6.42 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.149 -0.97 . . . . 0.0 109.051 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.453 ' HE3' ' N ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -67.88 -29.83 69.04 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 175.782 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.546 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 20.4 t -74.63 -9.12 58.26 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 122.693 0.397 . . . . 0.0 110.303 176.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -109.0 6.75 25.43 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.4 mt -77.67 -114.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.454 -0.779 . . . . 0.0 110.121 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.42 45.13 0.37 Allowed 'General case' 0 N--CA 1.524 3.273 0 CA-C-N 119.675 1.125 . . . . 0.0 112.401 -179.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.546 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -94.96 -10.15 31.89 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.178 -0.951 . . . . 0.0 111.908 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 413' ' ' LEU . 3.1 mt -66.15 -46.07 78.72 Favored 'General case' 0 N--CA 1.508 2.474 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -36.77 76.85 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.975 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.22 164.72 6.62 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.832 -0.542 . . . . 0.0 110.746 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.05 -74.47 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.558 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.547 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.8 89.02 0.08 Allowed 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 122.202 1.001 . . . . 0.0 108.421 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp . . . . . 0 N--CA 1.494 1.752 0 O-C-N 121.774 -0.579 . . . . 0.0 111.025 -177.794 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 . . . . . 0 N--CA 1.506 2.35 0 N-CA-C 105.872 -1.899 . . . . 0.0 105.872 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -61.76 158.99 14.45 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 113.262 -1.79 . . . . 0.0 108.711 176.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.5 mt-10 -83.84 28.6 0.58 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.008 -1.057 . . . . 0.0 108.843 175.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -104.99 -66.1 1.0 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.073 -1.017 . . . . 0.0 109.833 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 4.8 mtm -65.56 -31.59 72.73 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.721 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.499 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 7.5 t -87.5 13.03 10.87 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 1.8 tt0 -100.91 -30.08 11.85 Favored 'General case' 0 N--CA 1.511 2.595 0 C-N-CA 123.384 0.674 . . . . 0.0 110.824 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.7 mt -80.18 -56.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -95.86 36.28 1.31 Allowed 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.702 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.502 ' NE ' ' HA ' ' A' ' 409' ' ' GLN . 6.7 mtp180 -61.73 -29.84 70.38 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.73 -1.232 . . . . 0.0 108.888 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.6 mt -54.12 -34.37 60.12 Favored 'General case' 0 N--CA 1.514 2.751 0 CA-C-O 121.701 0.762 . . . . 0.0 109.561 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 414' ' ' LEU . 0.5 OUTLIER -93.86 -32.37 13.96 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.538 177.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 415' ' ' SER . . . . . 0.501 ' HB3' ' HA ' ' A' ' 412' ' ' ARG . 8.6 t -77.49 -120.08 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 122.008 -0.432 . . . . 0.0 110.951 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -69.63 52.35 0.11 Allowed 'General case' 0 N--CA 1.514 2.752 0 O-C-N 121.274 -0.891 . . . . 0.0 112.568 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 417' ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -116.05 75.87 0.98 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.602 -1.311 . . . . 0.0 108.515 178.351 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.489 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.506 2.347 0 O-C-N 121.746 -0.596 . . . . 0.0 110.848 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 N--CA 1.501 2.11 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.439 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -66.99 158.51 30.74 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 113.336 -1.756 . . . . 0.0 108.995 175.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.43 27.9 0.57 Allowed 'General case' 0 N--CA 1.509 2.484 0 O-C-N 121.176 -0.952 . . . . 0.0 108.452 173.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -53.19 2.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.165 -0.959 . . . . 0.0 110.726 -176.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.439 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 2.8 mpp? -65.45 -39.73 92.38 Favored 'General case' 0 N--CA 1.513 2.689 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.545 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 8.4 t -70.23 -2.65 13.9 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.766 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -110.27 1.47 18.61 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.0 mt -75.45 -105.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.673 -0.642 . . . . 0.0 111.264 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 43.59 0.65 Allowed 'General case' 0 N--CA 1.521 3.12 0 O-C-N 121.054 -1.028 . . . . 0.0 111.54 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.545 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -99.68 -5.84 28.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.034 -1.042 . . . . 0.0 112.85 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 413' ' ' LEU . 5.4 mt -58.18 -39.73 79.64 Favored 'General case' 0 N--CA 1.513 2.681 0 CA-C-O 121.274 0.559 . . . . 0.0 110.231 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -22.9 64.77 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 122.985 0.514 . . . . 0.0 111.99 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 7.4 t -85.94 -178.84 6.67 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.514 -0.741 . . . . 0.0 110.933 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.85 69.03 4.95 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.427 -0.796 . . . . 0.0 109.908 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 417' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 417' ' ' LYS . 13.2 ttpp -90.64 60.15 4.45 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.274 -0.891 . . . . 0.0 108.855 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.184 0 O-C-N 121.621 -0.674 . . . . 0.0 109.485 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 N--CA 1.505 2.282 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -77.19 153.1 34.44 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 113.562 -1.654 . . . . 0.0 108.14 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 10.1 mm-40 -84.23 34.11 0.51 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.96 -1.088 . . . . 0.0 108.257 174.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -100.75 -55.39 2.59 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.991 -1.068 . . . . 0.0 108.581 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -65.61 -27.85 68.7 Favored 'General case' 0 N--CA 1.509 2.512 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 175.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.492 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 22.7 t -85.35 -0.0 53.44 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.731 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.475 ' HA ' ' HG2' ' A' ' 412' ' ' ARG . 5.3 tp60 -98.94 -24.38 14.97 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.684 -0.635 . . . . 0.0 110.786 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.17 -47.81 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.52 28.74 2.84 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 408' ' ' SER . 0.1 OUTLIER -56.82 -27.13 59.59 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.199 -0.938 . . . . 0.0 110.484 178.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.5 mt -55.47 -41.01 72.35 Favored 'General case' 0 N--CA 1.515 2.786 0 CA-C-O 121.677 0.751 . . . . 0.0 109.437 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.09 -30.38 13.07 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.018 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 1.1 t -70.72 138.47 50.58 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.524 -0.735 . . . . 0.0 111.642 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -80.56 78.89 7.25 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -97.23 62.75 1.8 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 121.567 0.699 . . . . 0.0 110.662 -178.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? . . . . . 0 N--CA 1.504 2.233 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -67.85 146.11 53.99 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 113.032 -1.895 . . . . 0.0 108.507 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.06 40.4 0.82 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 174.736 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -103.7 -67.27 0.9 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.834 -1.166 . . . . 0.0 109.063 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -61.61 -33.72 74.4 Favored 'General case' 0 N--CA 1.513 2.677 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 28.1 t -76.25 -3.64 37.62 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.439 176.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -100.03 -35.57 9.66 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.671 -0.643 . . . . 0.0 110.294 179.59 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.58 -42.23 14.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.228 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -93.96 5.6 51.15 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -22.21 60.83 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.501 -0.749 . . . . 0.0 110.751 177.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.1 mt -57.46 -28.87 63.75 Favored 'General case' 0 N--CA 1.51 2.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.01 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -20.71 59.64 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.702 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 5.2 t -94.34 106.6 18.58 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.428 -0.795 . . . . 0.0 109.548 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.32 77.81 5.84 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -106.36 36.27 2.66 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.92 -0.487 . . . . 0.0 111.054 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt . . . . . 0 N--CA 1.501 2.076 0 O-C-N 121.423 -0.798 . . . . 0.0 109.747 179.324 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? . . . . . 0 N--CA 1.504 2.263 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.55 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -68.18 157.61 35.02 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.204 -1.816 . . . . 0.0 109.017 176.476 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 10.7 tp10 -84.35 29.56 0.58 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.202 -0.936 . . . . 0.0 108.492 174.805 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -100.98 -55.19 2.62 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.316 -0.865 . . . . 0.0 109.35 -177.606 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.55 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 5.2 mtm -65.78 -33.27 75.48 Favored 'General case' 0 N--CA 1.513 2.725 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 177.826 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.42 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 29.2 t -72.17 -9.55 58.59 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.222 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 6.3 tt0 -111.48 10.4 21.35 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -176.758 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.1 mt -73.31 -110.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.449 -0.782 . . . . 0.0 110.76 -177.842 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -81.93 30.84 0.37 Allowed 'General case' 0 N--CA 1.522 3.162 0 O-C-N 120.565 -1.335 . . . . 0.0 111.776 -179.466 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.44 ' HD2' ' N ' ' A' ' 412' ' ' ARG . 0.0 OUTLIER -68.56 -24.35 64.61 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.365 -0.835 . . . . 0.0 110.655 178.321 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.437 ' N ' HD23 ' A' ' 413' ' ' LEU . 0.6 OUTLIER -66.53 -30.51 70.84 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.922 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.25 -51.4 5.18 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.835 0.454 . . . . 0.0 110.392 -179.416 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 2.1 m -84.48 71.75 10.7 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.414 0.626 . . . . 0.0 109.928 -178.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.75 -41.52 64.11 Favored 'General case' 0 N--CA 1.513 2.692 0 O-C-N 122.071 -0.393 . . . . 0.0 110.765 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -124.76 41.5 3.49 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.243 0.544 . . . . 0.0 110.464 -179.452 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.096 0 O-C-N 121.494 -0.754 . . . . 0.0 109.125 179.451 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 . . . . . 0 N--CA 1.505 2.281 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.679 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -62.37 159.81 14.59 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 113.414 -1.721 . . . . 0.0 108.396 175.763 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 3.6 mt-10 -83.37 25.71 0.71 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.844 -1.16 . . . . 0.0 108.96 174.877 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 406' ' ' ARG . . . . . 0.528 ' HA ' ' NE ' ' A' ' 406' ' ' ARG . 7.9 tpm_? -107.56 -69.25 0.85 Allowed 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.897 -1.127 . . . . 0.0 111.847 -174.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.679 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 1.0 OUTLIER -66.24 -31.79 72.83 Favored 'General case' 0 N--CA 1.513 2.7 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.847 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.576 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -74.04 -4.13 33.56 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.035 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.6 OUTLIER -109.47 0.46 19.31 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.943 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.9 mt -74.45 -107.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.735 -0.603 . . . . 0.0 111.195 -177.634 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -80.91 45.81 0.85 Allowed 'General case' 0 N--CA 1.519 3.011 0 O-C-N 120.96 -1.087 . . . . 0.0 111.12 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.576 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.43 8.16 45.23 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.188 -0.945 . . . . 0.0 112.176 -179.6 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.516 ' N ' HD23 ' A' ' 413' ' ' LEU . 0.3 OUTLIER -89.6 9.26 27.48 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.768 -0.583 . . . . 0.0 111.0 179.056 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.4 -53.04 3.59 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.5 -0.75 . . . . 0.0 109.316 -179.855 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 7.5 t -95.9 -174.81 3.23 Favored 'General case' 0 N--CA 1.503 2.183 0 CA-C-O 121.191 0.52 . . . . 0.0 110.447 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.04 39.25 2.19 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.543 -0.723 . . . . 0.0 110.762 -179.711 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.5 74.52 0.89 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.214 -0.929 . . . . 0.0 109.066 179.61 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp . . . . . 0 N--CA 1.506 2.368 0 CA-C-O 121.97 0.891 . . . . 0.0 110.863 -179.495 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 N--CA 1.503 2.184 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.267 . . -52.4 161.4 0.67 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 112.88 -1.964 . . . . 0.0 112.005 177.39 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -85.14 32.18 0.55 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 173.198 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.28 -47.58 5.39 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.134 -0.979 . . . . 0.0 109.514 -177.795 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.402 ' HE3' ' N ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -67.07 -30.21 70.2 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 176.63 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.56 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 8.7 t -76.41 -2.42 31.85 Favored 'General case' 0 N--CA 1.501 2.112 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 176.817 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -109.29 0.32 19.51 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.404 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.3 mt -71.99 -107.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.474 -0.766 . . . . 0.0 111.083 -178.079 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -81.53 45.47 0.88 Allowed 'General case' 0 N--CA 1.52 3.027 0 O-C-N 120.921 -1.112 . . . . 0.0 111.022 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.56 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.95 7.78 45.67 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.265 -0.897 . . . . 0.0 112.242 -179.327 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.587 ' N ' HD23 ' A' ' 413' ' ' LEU . 0.8 OUTLIER -89.02 12.02 16.69 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.726 -0.609 . . . . 0.0 110.532 178.932 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.74 -52.76 3.63 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.445 -0.784 . . . . 0.0 109.477 -179.863 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 6.1 t -94.48 173.91 7.39 Favored 'General case' 0 N--CA 1.506 2.359 0 CA-C-O 120.821 0.343 . . . . 0.0 110.988 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.27 -48.15 0.49 Allowed 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 123.52 0.728 . . . . 0.0 111.971 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.74 -46.35 1.72 Allowed 'General case' 0 N--CA 1.5 2.065 0 CA-C-N 119.191 0.905 . . . . 0.0 110.629 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp . . . . . 0 N--CA 1.504 2.227 0 C-N-CA 122.838 0.455 . . . . 0.0 110.642 179.806 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 . . . . . 0 N--CA 1.501 2.087 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -66.2 158.76 27.96 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 113.15 -1.841 . . . . 0.0 109.251 176.177 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 12.0 tp10 -84.46 29.99 0.57 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.097 -1.002 . . . . 0.0 108.68 175.092 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -103.31 -53.32 2.83 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.782 -1.199 . . . . 0.0 110.112 -176.873 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -66.49 -40.19 89.15 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 176.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.566 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 33.1 t -65.67 -10.74 38.95 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.261 176.181 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 5.7 tt0 -109.2 7.0 25.22 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -176.799 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.3 mt -74.36 -100.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.289 -0.882 . . . . 0.0 110.415 -178.617 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -84.18 38.81 0.68 Allowed 'General case' 0 N--CA 1.517 2.915 0 O-C-N 120.953 -1.092 . . . . 0.0 110.388 179.267 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.566 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.1 OUTLIER -100.83 17.36 22.31 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.246 -0.909 . . . . 0.0 112.49 -178.112 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.429 ' N ' HD23 ' A' ' 413' ' ' LEU . 2.9 mt -82.01 15.82 2.16 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.421 -0.799 . . . . 0.0 110.922 179.184 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.407 ' HA ' HD13 ' A' ' 414' ' ' LEU . 2.6 mm? -96.16 -52.08 4.16 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 121.271 -0.893 . . . . 0.0 109.097 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.2 t -91.6 -178.1 4.98 Favored 'General case' 0 N--CA 1.505 2.299 0 CA-C-O 121.399 0.619 . . . . 0.0 110.796 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.04 82.85 1.81 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.665 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -105.98 50.47 0.78 Allowed 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.62 -0.675 . . . . 0.0 109.704 179.75 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp . . . . . 0 N--CA 1.503 2.191 0 O-C-N 121.211 -0.93 . . . . 0.0 110.24 -179.746 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? . . . . . 0 N--CA 1.504 2.264 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.472 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -65.44 168.55 7.1 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.215 175.22 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -82.5 15.22 2.63 Favored 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 118.928 -1.109 . . . . 0.0 109.71 175.545 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 406' ' ' ARG . . . . . 0.413 ' HB2' ' NH2' ' A' ' 406' ' ' ARG . 0.0 OUTLIER -104.2 -59.83 1.67 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.364 -0.835 . . . . 0.0 110.812 -176.833 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 5.7 mtm -66.08 -32.04 73.27 Favored 'General case' 0 N--CA 1.514 2.748 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.345 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.547 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -74.09 -4.19 34.06 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.859 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 33.9 tt0 -112.32 4.05 17.43 Favored 'General case' 0 N--CA 1.502 2.16 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -176.599 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.2 mt -73.76 -109.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.187 -0.945 . . . . 0.0 111.861 -176.679 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 29.46 0.37 Allowed 'General case' 0 N--CA 1.524 3.271 0 O-C-N 120.752 -1.217 . . . . 0.0 111.191 -178.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.547 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -64.29 -19.77 65.64 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.002 -1.061 . . . . 0.0 112.065 179.321 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.08 -38.97 92.51 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.779 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 414' ' ' LEU . 3.7 mm? -99.9 -47.77 4.91 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.015 -179.415 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 2.4 m -66.38 -178.67 0.69 Allowed 'General case' 0 N--CA 1.51 2.531 0 O-C-N 122.121 -0.362 . . . . 0.0 111.603 -178.755 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 4.51 -93.67 0.0 OUTLIER 'General case' 0 N--CA 1.533 3.723 0 C-N-CA 125.095 1.358 . . . . 0.0 113.661 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.31 78.85 0.25 Allowed 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 123.146 1.45 . . . . 0.0 108.142 178.686 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.444 ' HB3' ' NZ ' ' A' ' 418' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.406 -177.231 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -68.44 158.97 32.55 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 113.612 -1.631 . . . . 0.0 109.469 176.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.3 mt-10 -85.44 32.92 0.56 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.491 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -66.86 0.96 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.046 -1.034 . . . . 0.0 111.087 -175.404 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.491 ' HE2' ' H ' ' A' ' 407' ' ' MET . 5.8 mtm -57.16 -44.48 83.52 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.691 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -62.62 -42.08 99.38 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.02 177.589 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 2.4 tp60 -51.45 -24.74 5.35 Favored 'General case' 0 N--CA 1.511 2.613 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 178.27 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 6.3 mt -81.66 -65.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 121.821 -0.55 . . . . 0.0 110.401 179.504 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.34 19.66 18.37 Favored 'General case' 0 N--CA 1.518 2.953 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.114 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 408' ' ' SER . 27.1 mtt180 -60.39 -21.39 62.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.839 -1.163 . . . . 0.0 110.902 178.187 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 413' ' ' LEU . 0.8 OUTLIER -66.93 -29.66 69.59 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 120.96 0.409 . . . . 0.0 110.346 179.1 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.92 -45.31 9.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.54 75.64 10.13 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.8 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 416' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 417' ' ' LYS . 0.8 OUTLIER -62.79 -31.59 72.6 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 121.836 -0.54 . . . . 0.0 110.956 -179.656 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 417' ' ' LYS . . . . . 0.444 ' HE3' ' HB3' ' A' ' 417' ' ' LYS . 11.6 ttpp -121.17 42.07 3.16 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.63 -0.669 . . . . 0.0 109.661 179.781 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.444 0 O-C-N 121.24 -0.912 . . . . 0.0 110.509 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 . . . . . 0 N--CA 1.504 2.229 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.486 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -65.9 160.72 22.76 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.397 176.732 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.03 29.09 0.57 Allowed 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.36 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.08 -62.01 1.4 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.99 -1.069 . . . . 0.0 110.884 -175.676 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.486 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 6.5 mtm -59.95 -38.8 83.49 Favored 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.862 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 9.2 t -79.7 4.52 15.95 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 177.812 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 412' ' ' ARG . 0.9 OUTLIER -102.54 -43.67 5.57 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.647 0.737 . . . . 0.0 109.709 -179.723 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.4 mt -89.51 -45.46 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.057 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -95.55 34.66 1.44 Allowed 'General case' 0 N--CA 1.509 2.515 0 CA-C-O 120.761 0.315 . . . . 0.0 111.3 -179.288 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -90.19 -7.4 53.7 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.024 -1.047 . . . . 0.0 111.625 178.444 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 413' ' ' LEU . 4.3 mt -59.71 -28.66 67.52 Favored 'General case' 0 N--CA 1.514 2.763 0 CA-C-N 118.302 0.501 . . . . 0.0 109.947 178.636 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.05 -15.23 62.87 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 119.449 -0.31 . . . . 0.0 110.74 178.407 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 67.8 m -57.64 126.93 29.51 Favored 'General case' 0 N--CA 1.503 2.191 0 CA-C-N 118.886 0.766 . . . . 0.0 109.705 179.389 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.77 -54.94 23.38 Favored 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -127.45 87.89 2.7 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.116 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.507 2.399 0 O-C-N 121.544 -0.723 . . . . 0.0 111.149 -178.905 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 . . . . . 0 N--CA 1.505 2.284 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.473 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -63.68 156.72 26.05 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.4 -1.727 . . . . 0.0 108.575 175.635 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.75 30.09 0.51 Allowed 'General case' 0 N--CA 1.507 2.386 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 174.362 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.8 -59.06 1.8 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.92 -1.112 . . . . 0.0 110.789 -176.213 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 2.1 mpp? -62.39 -33.55 74.98 Favored 'General case' 0 N--CA 1.519 3.024 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.193 179.203 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.515 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 31.2 t -81.06 -3.99 53.74 Favored 'General case' 0 N--CA 1.499 1.999 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.369 177.768 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.524 ' HG2' ' HD2' ' A' ' 412' ' ' ARG . 0.4 OUTLIER -100.67 -8.59 22.71 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 123.317 0.647 . . . . 0.0 111.9 179.824 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 410' ' ' ILE . . . . . 0.435 ' HB ' ' HD3' ' A' ' 411' ' ' LYS . 2.1 mt -95.12 -52.8 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.745 -0.597 . . . . 0.0 109.683 -179.396 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 411' ' ' LYS . . . . . 0.435 ' HD3' ' HB ' ' A' ' 410' ' ' ILE . 0.9 OUTLIER -93.35 35.06 1.11 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.139 179.084 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.524 ' HD2' ' HG2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -64.42 -27.21 68.84 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.353 -0.842 . . . . 0.0 108.95 177.417 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.28 -31.13 69.95 Favored 'General case' 0 N--CA 1.505 2.325 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 176.735 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -38.82 11.88 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.373 0.669 . . . . 0.0 110.428 179.521 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.11 -17.33 40.49 Favored 'General case' 0 N--CA 1.515 2.816 0 O-C-N 121.441 -0.787 . . . . 0.0 113.1 -178.686 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 36.83 49.76 0.79 Allowed 'General case' 0 N--CA 1.527 3.42 0 C-N-CA 124.385 1.074 . . . . 0.0 112.604 179.675 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 176.99 8.15 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.524 -0.735 . . . . 0.0 109.585 -178.725 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.507 2.391 0 O-C-N 121.753 -0.592 . . . . 0.0 111.812 178.526 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 . . . . . 0 N--CA 1.502 2.168 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.458 ' HB3' ' HE2' ' A' ' 407' ' ' MET . . . -65.29 168.39 7.05 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 113.639 -1.619 . . . . 0.0 109.188 176.881 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -83.11 19.92 1.34 Allowed 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.397 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 406' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 406' ' ' ARG . 2.3 tpp85 -109.05 -66.69 1.03 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.407 -0.808 . . . . 0.0 111.501 -173.811 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.458 ' HE2' ' HB3' ' A' ' 404' ' ' ALA . 8.0 mtm -64.43 -38.05 89.66 Favored 'General case' 0 N--CA 1.513 2.691 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.709 179.559 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.521 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 0.2 OUTLIER -65.92 -40.47 91.48 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.463 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.584 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 10.2 tt0 -53.07 -29.77 32.14 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.167 178.476 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -69.12 -27.46 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 122.147 -0.345 . . . . 0.0 111.042 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -94.83 -12.16 27.51 Favored 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.802 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.584 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.3 OUTLIER -95.69 17.54 14.77 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 118.895 0.77 . . . . 0.0 112.127 -179.463 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.86 -40.89 81.25 Favored 'General case' 0 N--CA 1.517 2.9 0 O-C-N 121.095 -1.003 . . . . 0.0 109.93 179.091 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.484 ' O ' HD12 ' A' ' 414' ' ' LEU . 2.2 pp -74.14 -6.72 49.34 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 1.6 m -71.8 100.41 2.37 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-N 119.723 1.147 . . . . 0.0 109.721 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -51.58 69.19 Favored 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.545 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 417' ' ' LYS . . . . . 0.518 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -144.14 73.74 1.39 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.834 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.341 0 O-C-N 121.862 -0.524 . . . . 0.0 109.891 -178.915 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 403' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 1.9 pm0 . . . . . 0 N--CA 1.501 2.094 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.41 ' N ' ' HG2' ' A' ' 403' ' ' GLN . . . -71.67 161.11 31.49 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 113.867 -1.515 . . . . 0.0 108.943 176.862 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.7 mm-40 -84.78 31.09 0.54 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 174.466 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.1 -63.6 1.27 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 111.094 -175.368 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -62.97 -36.98 85.3 Favored 'General case' 0 N--CA 1.512 2.63 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.705 -179.563 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.7 t -87.77 12.39 13.02 Favored 'General case' 0 C--O 1.203 -1.386 0 CA-C-O 119.146 -0.454 . . . . 0.0 109.997 178.189 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.586 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 4.4 tt0 -100.67 -51.19 3.65 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-O 121.945 0.878 . . . . 0.0 108.824 179.664 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.9 mt -65.58 -38.48 82.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.26 178.804 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 411' ' ' LYS . . . . . 0.526 ' HD2' ' N ' ' A' ' 411' ' ' LYS . 0.1 OUTLIER -98.47 26.13 5.77 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 122.215 -0.303 . . . . 0.0 111.081 -179.369 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.586 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 1.4 mtp85 -59.43 -22.06 60.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.119 -0.988 . . . . 0.0 111.374 178.752 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.2 mt -60.89 -38.92 87.36 Favored 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.016 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.35 -37.74 10.82 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.411 179.014 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.89 73.98 7.89 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 76.29 5.77 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.64 0.733 . . . . 0.0 109.147 -179.733 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 417' ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' ' 417' ' ' LYS . 11.9 ttpp -107.25 49.19 0.81 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.441 0.638 . . . . 0.0 109.3 179.914 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.187 0 O-C-N 121.081 -1.012 . . . . 0.0 110.121 -179.681 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 . . . . . 0 N--CA 1.505 2.279 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -57.7 163.92 2.32 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 113.488 -1.687 . . . . 0.0 109.752 176.111 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 7.9 mm-40 -83.44 27.45 0.6 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.024 -1.048 . . . . 0.0 108.648 175.039 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -107.81 -67.89 0.93 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.826 -1.171 . . . . 0.0 111.296 -175.536 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 5.8 mtm -64.82 -34.78 79.18 Favored 'General case' 0 N--CA 1.515 2.782 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.155 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.557 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.5 t -87.75 12.27 13.26 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.568 177.703 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 4.2 tp-100 -102.03 -30.13 11.37 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 123.674 0.79 . . . . 0.0 110.686 -179.88 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.8 mt -84.47 -52.17 12.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.409 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.06 29.17 2.51 Favored 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.714 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 408' ' ' SER . 4.3 mtp85 -56.94 -27.76 61.41 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.929 -1.107 . . . . 0.0 110.138 178.504 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.48 -42.54 70.83 Favored 'General case' 0 N--CA 1.515 2.797 0 CA-C-O 121.813 0.816 . . . . 0.0 109.594 178.301 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.51 -30.35 13.37 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.157 179.336 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.0 122.05 16.11 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.527 -0.733 . . . . 0.0 110.851 -178.817 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -113.18 23.56 13.19 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.976 -0.452 . . . . 0.0 110.593 179.193 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 52.42 1.82 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.014 -1.054 . . . . 0.0 108.986 -179.78 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp . . . . . 0 N--CA 1.499 1.997 0 O-C-N 121.435 -0.79 . . . . 0.0 110.007 -179.291 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 N--CA 1.505 2.32 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.41 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -66.58 164.7 16.12 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 113.966 -1.47 . . . . 0.0 108.079 175.577 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 405' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 5.6 mm-40 -82.73 21.09 1.04 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.847 -1.158 . . . . 0.0 109.04 174.819 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -103.44 -64.16 1.11 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.183 -0.948 . . . . 0.0 109.165 -177.445 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.41 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 7.1 mtm -66.27 -34.75 78.72 Favored 'General case' 0 N--CA 1.514 2.744 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.549 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 408' ' ' SER . . . . . 0.59 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.2 OUTLIER -71.43 -3.49 21.23 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 175.984 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 409' ' ' GLN . . . . . 0.517 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 1.3 tp-100 -108.5 2.59 22.35 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -177.489 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.5 mt -73.25 -102.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.548 -0.72 . . . . 0.0 110.591 -178.056 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -83.39 40.96 0.75 Allowed 'General case' 0 N--CA 1.522 3.137 0 O-C-N 120.952 -1.092 . . . . 0.0 110.716 179.841 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 412' ' ' ARG . . . . . 0.59 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -100.9 12.36 37.77 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.22 -0.925 . . . . 0.0 113.103 -178.047 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 413' ' ' LEU . . . . . 0.539 ' N ' HD23 ' A' ' 413' ' ' LEU . 2.0 mt -84.31 14.64 4.19 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.519 -0.738 . . . . 0.0 110.803 178.919 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 414' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 414' ' ' LEU . 1.3 mm? -97.54 -51.83 3.99 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 121.409 -0.807 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.03 177.78 5.87 Favored 'General case' 0 N--CA 1.508 2.447 0 CA-C-O 121.628 0.728 . . . . 0.0 110.679 -179.926 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -74.6 70.75 1.84 Allowed 'General case' 0 N--CA 1.507 2.424 0 CA-C-O 121.829 0.823 . . . . 0.0 110.603 -179.453 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 68.86 6.6 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.895 -1.128 . . . . 0.0 108.203 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.875 0 O-C-N 121.741 -0.6 . . . . 0.0 110.538 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.493 ' H1 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.222 -0.393 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -80.64 -48.94 11.9 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.532 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -66.83 156.47 35.53 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 113.152 -1.84 . . . . 0.0 109.34 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.33 34.2 0.57 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 175.221 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.86 -70.01 0.81 Allowed 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.939 -1.101 . . . . 0.0 111.704 -174.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.532 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 0.5 OUTLIER -61.67 -28.35 69.33 Favored 'General case' 0 N--CA 1.516 2.875 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.155 -179.433 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 1.9 t -79.46 -34.31 41.62 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 177.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.542 ' HA ' ' CG ' ' A' ' 412' ' ' ARG . 17.6 tt0 -54.21 -43.15 70.53 Favored 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 123.171 0.588 . . . . 0.0 111.024 178.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.8 mt -60.53 -26.92 39.04 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.01 -4.88 42.36 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.542 ' CG ' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -91.87 22.98 3.88 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 119.477 1.035 . . . . 0.0 110.849 178.672 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 413' ' ' LEU . 4.1 mt -60.08 -23.47 63.82 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.194 -0.941 . . . . 0.0 110.38 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.7 -18.11 56.94 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.74 0.416 . . . . 0.0 110.748 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.73 154.57 36.35 Favored 'General case' 0 N--CA 1.507 2.396 0 CA-C-N 119.142 0.883 . . . . 0.0 110.54 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.56 -72.24 0.06 Allowed 'General case' 0 N--CA 1.515 2.787 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.39 91.19 2.36 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 119.389 0.995 . . . . 0.0 110.362 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.414 ' HE3' ' HB2' ' A' ' 418' ' ' LYS . 0.0 OUTLIER -139.17 94.22 2.78 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.566 -0.709 . . . . 0.0 110.414 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.1 p 59.53 -172.17 0.12 Allowed 'General case' 0 N--CA 1.514 2.765 0 CA-C-O 120.749 0.309 . . . . 0.0 110.421 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.231 0 O-C-N 118.538 -2.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.898 ' H3 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.219 -0.515 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -81.89 -46.15 14.48 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.261 . . -57.75 164.14 2.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 113.044 -1.889 . . . . 0.0 112.005 177.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.03 31.99 0.54 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 173.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.435 ' O ' HG13 ' A' ' 410' ' ' ILE . 0.0 OUTLIER -98.38 -51.01 4.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.873 -1.142 . . . . 0.0 108.828 -177.401 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.898 ' SD ' ' H3 ' ' A' ' 402' ' ' ACE . 0.0 OUTLIER -63.24 -27.68 69.51 Favored 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 176.165 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 1.6 t -68.07 -49.03 63.86 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.646 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 2.6 tt0 -52.65 -48.66 66.3 Favored 'General case' 0 N--CA 1.51 2.555 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.771 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 406' ' ' ARG . 8.5 mt -66.51 -41.71 88.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.466 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -96.08 27.75 3.5 Favored 'General case' 0 N--CA 1.508 2.434 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.646 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -66.39 -16.64 64.24 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.861 -1.149 . . . . 0.0 111.507 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 413' ' ' LEU . 3.6 mt -60.42 -31.33 70.3 Favored 'General case' 0 N--CA 1.51 2.555 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 175.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -29.09 21.36 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.428 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 42.9 m -57.69 107.42 0.45 Allowed 'General case' 0 N--CA 1.505 2.322 0 CA-C-N 118.98 0.809 . . . . 0.0 109.906 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.85 88.91 5.24 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.576 -0.703 . . . . 0.0 109.354 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.94 67.28 9.75 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.5 118.66 6.33 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.598 0.713 . . . . 0.0 110.441 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.557 ' HG1' ' N ' ' A' ' 420' ' ' NH2 . 1.2 t -43.26 157.57 0.04 OUTLIER 'General case' 0 N--CA 1.518 2.929 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.058 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . 0.557 ' N ' ' HG1' ' A' ' 419' ' ' THR . . . . . . . . 0 C--N 1.301 -1.523 0 O-C-N 119.04 -2.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.613 ' H1 ' ' NE ' ' A' ' 406' ' ' ARG . . . . . . . . 0 C--O 1.219 -0.501 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -86.98 -56.52 3.34 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.271 . . -79.55 154.5 28.74 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-N 111.878 -2.419 . . . . 0.0 107.446 175.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 407' ' ' MET . 1.6 pm0 -66.73 118.62 10.53 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 101.737 -3.431 . . . . 0.0 101.737 171.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.613 ' NE ' ' H1 ' ' A' ' 402' ' ' ACE . 0.0 OUTLIER -57.06 68.59 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.34 0 CA-C-O 121.474 0.654 . . . . 0.0 112.758 -175.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -90.71 -33.59 15.72 Favored 'General case' 0 N--CA 1.515 2.821 0 O-C-N 121.346 -0.846 . . . . 0.0 109.978 178.61 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 33.4 t -85.79 -27.46 25.15 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.499 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 1.6 tp-100 -54.75 -40.25 69.14 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 123.395 0.678 . . . . 0.0 110.539 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.8 mt -72.18 -48.8 47.26 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.906 0 CA-C-O 120.967 0.413 . . . . 0.0 109.924 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 34.76 1.49 Allowed 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.205 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.519 ' HA ' ' HB2' ' A' ' 415' ' ' SER . 8.8 mtm105 -63.58 -27.35 69.19 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.967 -1.083 . . . . 0.0 109.546 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 413' ' ' LEU . 2.6 mt -57.93 -33.6 68.98 Favored 'General case' 0 N--CA 1.509 2.521 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.47 -44.93 10.35 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.179 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 415' ' ' SER . . . . . 0.519 ' HB2' ' HA ' ' A' ' 412' ' ' ARG . 2.9 m -55.84 -35.43 66.4 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.893 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.84 -31.24 48.67 Favored 'General case' 0 N--CA 1.508 2.468 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.768 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 33.89 3.6 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.444 -0.785 . . . . 0.0 110.105 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.76 ' HD2' HG23 ' A' ' 419' ' ' THR . 0.4 OUTLIER -126.97 97.61 5.02 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.167 -0.958 . . . . 0.0 109.918 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.76 HG23 ' HD2' ' A' ' 418' ' ' LYS . 11.5 p 50.91 -155.64 0.13 Allowed 'General case' 0 N--CA 1.512 2.657 0 O-C-N 122.158 -0.339 . . . . 0.0 111.168 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.277 0 O-C-N 118.874 -2.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.443 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -80.69 -36.89 31.71 Favored 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.288 . . -64.37 161.6 16.6 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.551 -1.658 . . . . 0.0 111.371 177.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.78 33.63 0.59 Allowed 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.75 -50.69 5.77 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.062 -1.024 . . . . 0.0 108.285 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -65.5 -27.33 68.4 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.413 176.268 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.486 ' O ' ' HG3' ' A' ' 412' ' ' ARG . 1.2 t -76.28 -42.61 44.91 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.43 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 11.6 tt0 -51.13 -29.77 14.49 Favored 'General case' 0 N--CA 1.516 2.87 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -71.86 -46.04 62.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.474 ' HD3' ' C ' ' A' ' 411' ' ' LYS . 0.1 OUTLIER -96.54 12.22 32.34 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 122.872 0.469 . . . . 0.0 111.926 -179.082 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -70.5 2.21 4.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.237 -1.539 . . . . 0.0 113.044 -179.587 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 413' ' ' LEU . 5.7 mt -57.13 -41.55 79.27 Favored 'General case' 0 N--CA 1.515 2.795 0 CA-C-N 119.102 0.864 . . . . 0.0 109.711 178.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -21.46 32.94 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.253 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.9 m -70.87 -172.73 0.69 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.422 -0.798 . . . . 0.0 110.441 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -47.2 -45.77 23.45 Favored 'General case' 0 N--CA 1.52 3.033 0 O-C-N 121.192 -0.942 . . . . 0.0 111.186 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 417' ' ' LYS . 0.3 OUTLIER 35.5 81.56 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.372 0 C-N-CA 124.785 1.234 . . . . 0.0 109.878 177.642 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -161.98 -164.45 1.08 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.002 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 16.7 p -104.01 129.54 51.62 Favored 'General case' 0 N--CA 1.5 2.054 0 CA-C-O 121.094 0.473 . . . . 0.0 110.378 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.446 0 O-C-N 119.136 -2.228 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.481 ' H3 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.218 -0.586 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.85 -46.29 15.53 Favored 'General case' 0 N--CA 1.506 2.348 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.28 . . -51.98 162.2 0.49 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.033 -1.894 . . . . 0.0 111.756 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -85.12 32.57 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.446 ' HD2' ' HA ' ' A' ' 406' ' ' ARG . 6.7 tpt85 -97.03 -46.8 6.04 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.928 -1.107 . . . . 0.0 109.322 -177.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.481 ' SD ' ' H3 ' ' A' ' 402' ' ' ACE . 0.0 OUTLIER -65.88 -29.15 69.55 Favored 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.725 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.522 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 21.8 t -76.81 -11.17 59.79 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.396 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -109.18 7.62 25.54 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.9 mt -76.26 -105.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.367 -0.833 . . . . 0.0 110.643 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.51 44.54 0.9 Allowed 'General case' 0 N--CA 1.518 2.97 0 O-C-N 120.997 -1.064 . . . . 0.0 111.029 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.522 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -97.32 3.84 51.04 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.248 -0.908 . . . . 0.0 112.596 -179.453 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.57 ' N ' HD23 ' A' ' 413' ' ' LEU . 0.8 OUTLIER -87.58 -46.34 9.64 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.775 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -38.18 65.77 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.902 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.33 153.67 37.69 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-O 121.369 0.604 . . . . 0.0 110.809 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.73 28.68 8.58 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.956 -0.465 . . . . 0.0 110.657 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.469 ' HE2' ' HB2' ' A' ' 417' ' ' LYS . 1.3 mppt? -101.9 58.26 0.83 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.259 -0.901 . . . . 0.0 109.666 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.731 ' HE2' HG23 ' A' ' 419' ' ' THR . 0.0 OUTLIER -170.5 93.57 0.21 Allowed 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.567 -0.708 . . . . 0.0 109.848 -179.682 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.731 HG23 ' HE2' ' A' ' 418' ' ' LYS . 7.5 p 51.18 51.85 16.1 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-O 121.02 0.438 . . . . 0.0 110.848 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 118.743 -2.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.756 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.222 -0.378 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -80.72 -47.84 13.41 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.53 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -61.31 166.87 3.54 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.393 -1.73 . . . . 0.0 109.299 176.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.4 tp10 -84.13 21.01 1.44 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.16 -0.963 . . . . 0.0 109.448 175.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -105.55 -66.02 1.01 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.387 -0.821 . . . . 0.0 109.977 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.756 ' HB2' ' H1 ' ' A' ' 402' ' ' ACE . 3.7 mtm -66.34 -26.37 67.26 Favored 'General case' 0 N--CA 1.513 2.716 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.312 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -89.6 8.81 29.45 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.425 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.575 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 13.9 tt0 -102.94 -45.37 4.98 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-O 121.446 0.641 . . . . 0.0 110.924 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.8 mt -64.42 -45.87 94.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.266 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.1 33.94 1.46 Allowed 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.483 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.575 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 1.5 mtp85 -69.91 -25.97 63.94 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.893 -1.129 . . . . 0.0 109.474 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.439 ' N ' HD23 ' A' ' 413' ' ' LEU . 0.6 OUTLIER -63.87 -43.48 95.93 Favored 'General case' 0 N--CA 1.509 2.483 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 177.233 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.71 -35.52 65.14 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.756 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 44.5 m -59.97 111.4 1.47 Allowed 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 114.47 6.7 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.874 -0.517 . . . . 0.0 109.998 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' A' ' 417' ' ' LYS . 0.0 OUTLIER 57.77 91.21 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 121.963 0.887 . . . . 0.0 108.912 179.417 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.475 ' HB3' ' HE2' ' A' ' 418' ' ' LYS . 4.6 ttpt -167.46 72.49 0.11 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.238 1.018 . . . . 0.0 110.303 -177.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.2 p 51.87 29.06 5.59 Favored 'General case' 0 N--CA 1.513 2.695 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.892 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 118.876 -2.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.593 ' H1 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.487 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -79.4 -48.98 13.06 Favored 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 104.676 -2.342 . . . . 0.0 104.676 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.649 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -68.91 149.24 49.1 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.112 -1.858 . . . . 0.0 107.705 175.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.1 pm0 -84.18 32.44 0.49 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.089 -1.007 . . . . 0.0 108.468 175.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -104.4 -60.6 1.57 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.312 -0.868 . . . . 0.0 110.396 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.649 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 1.4 ptp -63.89 -34.49 78.05 Favored 'General case' 0 N--CA 1.515 2.803 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.556 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 11.7 t -75.21 -4.67 40.29 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.8 OUTLIER -109.03 2.97 21.61 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -177.241 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.5 mt -77.14 -112.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.596 -0.69 . . . . 0.0 109.833 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -76.45 46.31 0.42 Allowed 'General case' 0 N--CA 1.527 3.417 0 CA-C-N 119.748 1.158 . . . . 0.0 111.924 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.556 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.97 -5.15 31.08 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.082 -1.011 . . . . 0.0 112.684 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.8 OUTLIER -72.91 -48.87 33.34 Favored 'General case' 0 N--CA 1.511 2.579 0 CA-C-O 121.582 0.706 . . . . 0.0 109.62 179.78 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -36.48 80.68 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.786 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.7 t -79.39 175.87 10.21 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.784 0.802 . . . . 0.0 111.122 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.92 40.26 0.39 Allowed 'General case' 0 N--CA 1.513 2.721 0 O-C-N 121.631 -0.668 . . . . 0.0 112.496 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.48 77.73 1.57 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.402 -1.436 . . . . 0.0 110.773 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.735 ' HD2' HG23 ' A' ' 419' ' ' THR . 0.0 OUTLIER -124.72 103.15 7.94 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.588 -0.695 . . . . 0.0 109.686 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.735 HG23 ' HD2' ' A' ' 418' ' ' LYS . 8.1 p 46.01 54.83 7.69 Favored 'General case' 0 N--CA 1.513 2.685 0 C-N-CA 123.381 0.672 . . . . 0.0 111.578 178.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 118.782 -2.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.763 ' H1 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.482 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 4.6 pm0 -78.56 -41.88 30.77 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.441 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -74.93 149.45 39.41 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 113.228 -1.805 . . . . 0.0 108.363 176.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.7 mm-40 -84.09 35.1 0.52 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 174.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -102.46 -59.57 1.68 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.23 -0.919 . . . . 0.0 109.856 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.763 ' SD ' ' H1 ' ' A' ' 402' ' ' ACE . 1.8 ptp -67.38 -33.08 74.47 Favored 'General case' 0 N--CA 1.513 2.696 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.55 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 29.4 t -68.75 -10.93 59.38 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.515 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.8 OUTLIER -108.44 7.38 26.95 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -177.201 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.445 HG22 ' HD2' ' A' ' 411' ' ' LYS . 7.2 mt -75.66 -103.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.512 -0.743 . . . . 0.0 110.578 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.445 ' HD2' HG22 ' A' ' 410' ' ' ILE . 11.1 mptt -83.67 43.24 0.89 Allowed 'General case' 0 N--CA 1.517 2.891 0 O-C-N 120.985 -1.072 . . . . 0.0 110.343 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.55 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -99.02 12.4 36.13 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.342 -0.849 . . . . 0.0 112.447 -178.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.597 ' N ' HD23 ' A' ' 413' ' ' LEU . 0.7 OUTLIER -92.39 18.06 8.97 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.587 -0.695 . . . . 0.0 109.844 178.276 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -48.57 4.61 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.34 -0.85 . . . . 0.0 110.842 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.2 t -86.77 178.93 6.86 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-O 121.459 0.647 . . . . 0.0 111.771 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.13 27.28 7.85 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 121.817 -0.552 . . . . 0.0 111.283 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.08 118.65 35.35 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 418' ' ' LYS . 0.0 OUTLIER -165.78 -157.31 0.3 Allowed 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.958 -176.404 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.595 ' HG1' ' N ' ' A' ' 420' ' ' NH2 . 5.1 p -100.94 -51.8 3.45 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.862 -0.524 . . . . 0.0 110.075 -177.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . 0.595 ' N ' ' HG1' ' A' ' 419' ' ' THR . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 119.431 -2.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.57 ' H1 ' ' CE ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.219 -0.503 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -79.21 -37.38 38.29 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.414 ' HB3' ' HE1' ' A' ' 407' ' ' MET . . . -77.97 156.47 30.19 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 113.745 -1.57 . . . . 0.0 108.165 176.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.1 tm-20 -83.92 29.3 0.55 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.0 -1.063 . . . . 0.0 108.521 175.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -99.37 -55.47 2.67 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.128 -0.982 . . . . 0.0 109.027 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.57 ' CE ' ' H1 ' ' A' ' 402' ' ' ACE . 2.7 mpp? -66.73 -31.22 71.73 Favored 'General case' 0 N--CA 1.515 2.8 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.469 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 37.1 t -81.62 2.12 30.86 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.64 177.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.52 ' HA ' ' CD ' ' A' ' 412' ' ' ARG . 1.1 tm0? -101.94 -22.4 14.32 Favored 'General case' 0 N--CA 1.508 2.433 0 O-C-N 121.596 -0.69 . . . . 0.0 111.737 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 5.5 mt -90.63 -51.9 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 CA-C-O 121.202 0.525 . . . . 0.0 110.046 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 32.46 1.66 Allowed 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.202 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.52 ' CD ' ' HA ' ' A' ' 409' ' ' GLN . 7.5 mtp180 -62.94 -29.2 70.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.247 -0.908 . . . . 0.0 109.197 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 413' ' ' LEU . 2.3 mt -57.08 -36.96 71.2 Favored 'General case' 0 N--CA 1.515 2.798 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.28 -38.27 17.7 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.098 178.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.3 83.43 3.75 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.515 0.674 . . . . 0.0 109.421 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -82.71 69.64 9.54 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.97 67.99 9.95 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.4 87.46 0.16 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.746 -0.596 . . . . 0.0 109.674 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.5 p 58.7 17.41 5.1 Favored 'General case' 0 N--CA 1.515 2.813 0 O-C-N 122.066 -0.396 . . . . 0.0 111.069 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 118.959 -2.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.637 ' H1 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.458 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -78.99 -49.17 13.16 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.645 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -66.13 153.25 42.86 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.36 -1.746 . . . . 0.0 108.467 175.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -83.82 31.4 0.48 Allowed 'General case' 0 N--CA 1.509 2.482 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 174.514 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 406' ' ' ARG . 0.0 OUTLIER -106.93 -65.56 1.08 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.345 -0.847 . . . . 0.0 112.076 -174.516 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.645 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 1.5 ptp -63.55 -29.96 71.15 Favored 'General case' 0 N--CA 1.514 2.729 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.086 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.5 t -89.78 12.7 16.34 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.52 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 6.8 tp-100 -107.11 -49.85 3.2 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.906 0.86 . . . . 0.0 110.29 -177.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.5 mt -68.1 -43.54 85.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.261 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 28.65 2.61 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.149 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.52 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.3 OUTLIER -62.77 -22.89 66.92 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.295 -0.878 . . . . 0.0 110.938 178.268 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 413' ' ' LEU . 3.1 mt -60.91 -38.25 85.07 Favored 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -41.84 13.4 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.5 90.97 3.31 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.607 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -77.25 83.71 3.71 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.39 41.32 2.84 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.511 ' C ' HG23 ' A' ' 419' ' ' THR . 0.0 OUTLIER -124.26 27.92 6.89 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.363 -0.836 . . . . 0.0 111.456 -179.015 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.511 HG23 ' C ' ' A' ' 418' ' ' LYS . 0.7 OUTLIER 71.98 133.61 0.04 OUTLIER 'General case' 0 N--CA 1.52 3.064 0 O-C-N 120.884 -1.135 . . . . 0.0 110.553 178.226 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.441 0 O-C-N 119.172 -2.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.54 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.226 -0.166 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -79.16 -49.15 13.03 Favored 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.404 ' HB3' ' HE2' ' A' ' 407' ' ' MET . . . -61.58 159.41 13.17 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.373 -1.74 . . . . 0.0 108.363 175.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 22.5 mm-40 -83.7 24.71 0.84 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.986 -1.071 . . . . 0.0 109.874 176.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -103.79 -64.23 1.12 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.413 -0.804 . . . . 0.0 109.216 -177.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.54 ' HB2' ' H1 ' ' A' ' 402' ' ' ACE . 2.9 mpp? -66.23 -43.02 87.81 Favored 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.454 ' CB ' ' HG3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -60.75 -35.54 76.64 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.082 176.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 4.3 tp-100 -50.68 -24.22 3.21 Favored 'General case' 0 N--CA 1.516 2.864 0 O-C-N 121.533 -0.729 . . . . 0.0 111.764 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -88.58 -60.53 2.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 O-C-N 122.034 -0.416 . . . . 0.0 110.156 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.35 22.44 12.52 Favored 'General case' 0 N--CA 1.521 3.084 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.494 ' HD3' ' HA ' ' A' ' 409' ' ' GLN . 13.1 mtp180 -59.21 -22.89 61.74 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.895 -1.128 . . . . 0.0 110.841 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 413' ' ' LEU . 3.3 mt -57.68 -28.96 64.27 Favored 'General case' 0 N--CA 1.508 2.462 0 CA-C-O 120.813 0.339 . . . . 0.0 110.156 178.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 414' ' ' LEU . 1.2 mm? -98.75 8.28 45.13 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.699 0.399 . . . . 0.0 111.637 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.55 78.11 7.31 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.853 -1.154 . . . . 0.0 109.824 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -29.09 36.68 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 121.961 -0.462 . . . . 0.0 111.166 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -121.52 36.42 4.62 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.508 -0.745 . . . . 0.0 110.706 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -156.76 176.27 12.96 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.284 -0.885 . . . . 0.0 110.751 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.47 -67.59 0.64 Allowed 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -178.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 119.645 -1.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 1.049 ' H1 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.494 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -79.57 -48.8 13.19 Favored 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.527 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -72.26 151.39 42.86 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.082 -1.872 . . . . 0.0 107.935 175.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -84.75 30.71 0.55 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.943 -1.098 . . . . 0.0 108.571 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -106.41 -65.7 1.06 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.137 -0.977 . . . . 0.0 111.883 -174.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 407' ' ' MET . . . . . 1.049 ' SD ' ' H1 ' ' A' ' 402' ' ' ACE . 1.6 pmm? -59.68 -37.34 78.53 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.526 -178.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 25.9 t -69.7 -37.17 76.48 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.578 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 44.2 tt0 -53.09 -29.96 33.53 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 122.732 0.413 . . . . 0.0 111.527 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 6.7 mt -72.98 -29.01 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 122.26 -0.275 . . . . 0.0 111.207 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -94.72 -4.74 46.91 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.578 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -89.96 23.49 2.76 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.003 -1.061 . . . . 0.0 110.596 178.694 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.441 ' N ' HD23 ' A' ' 413' ' ' LEU . 5.1 mt -59.88 -21.76 61.45 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 121.134 -0.979 . . . . 0.0 110.543 178.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.67 -19.38 45.36 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 122.739 0.416 . . . . 0.0 110.612 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.55 89.2 2.72 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 119.222 0.919 . . . . 0.0 109.221 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.44 90.49 0.98 Allowed 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.2 OUTLIER 56.58 74.92 0.38 Allowed 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 122.258 1.028 . . . . 0.0 108.502 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.847 ' HD2' HG23 ' A' ' 419' ' ' THR . 0.0 OUTLIER -155.57 109.2 2.8 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.364 -175.575 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.847 HG23 ' HD2' ' A' ' 418' ' ' LYS . 11.9 p 44.14 38.47 2.36 Favored 'General case' 0 N--CA 1.511 2.6 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.32 177.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.13 -2.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.531 ' H1 ' ' CE ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.485 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 2.7 pm0 -79.95 -35.29 37.88 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 403' ' ' GLN 0.254 . . -83.38 157.21 22.61 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 113.615 -1.63 . . . . 0.0 109.31 178.104 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.08 36.49 0.63 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 174.308 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.22 -58.78 1.81 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.0 108.86 -176.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.531 ' CE ' ' H1 ' ' A' ' 402' ' ' ACE . 2.4 mpp? -67.78 -29.44 68.64 Favored 'General case' 0 N--CA 1.512 2.664 0 CA-C-N 115.089 -0.959 . . . . 0.0 108.696 176.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.561 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 47.1 t -84.25 5.91 24.81 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.034 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 57.3 tt0 -100.99 -14.78 17.72 Favored 'General case' 0 N--CA 1.509 2.514 0 C-N-CA 123.538 0.735 . . . . 0.0 111.122 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.4 mt -88.1 -51.04 13.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 O-C-N 121.762 -0.586 . . . . 0.0 109.641 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.11 30.82 2.04 Favored 'General case' 0 N--CA 1.511 2.58 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.825 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -60.97 -29.36 69.62 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.101 -0.999 . . . . 0.0 109.367 178.072 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.86 -37.68 71.64 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-O 121.58 0.705 . . . . 0.0 109.27 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.57 -34.57 15.45 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.027 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.4 t -80.25 58.52 3.08 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.619 -0.676 . . . . 0.0 111.03 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.72 -17.75 57.28 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.794 -0.567 . . . . 0.0 111.319 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.12 38.41 2.55 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.03 90.8 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.4 p 62.33 11.71 4.72 Favored 'General case' 0 N--CA 1.518 2.93 0 O-C-N 122.004 -0.435 . . . . 0.0 110.932 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.228 0 O-C-N 119.062 -2.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.41 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.221 -0.445 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -79.34 -38.46 35.09 Favored 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.469 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -69.91 162.82 27.25 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.245 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.9 OUTLIER -82.59 23.6 0.77 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.889 -1.132 . . . . 0.0 108.795 174.757 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.98 -70.07 0.81 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.979 -1.075 . . . . 0.0 111.509 -175.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 7.2 mtm -58.35 -42.5 87.03 Favored 'General case' 0 N--CA 1.514 2.753 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.201 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 32.1 t -66.01 -38.42 88.4 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.658 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 18.8 tt0 -52.31 -29.14 21.96 Favored 'General case' 0 N--CA 1.513 2.694 0 C-N-CA 122.78 0.432 . . . . 0.0 111.925 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.28 -26.07 22.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 122.244 -0.285 . . . . 0.0 110.608 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.48 ' N ' ' HD3' ' A' ' 411' ' ' LYS . 0.0 OUTLIER -96.55 -21.42 17.69 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 122.69 0.396 . . . . 0.0 111.99 -179.265 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.658 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -85.93 18.84 2.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.459 -0.775 . . . . 0.0 112.009 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 6.0 mt -55.04 -35.81 64.86 Favored 'General case' 0 N--CA 1.522 3.138 0 O-C-N 121.342 -0.849 . . . . 0.0 109.953 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.47 -9.87 38.64 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 123.294 0.638 . . . . 0.0 112.372 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 67.3 m -71.96 85.14 0.98 Allowed 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 119.236 0.925 . . . . 0.0 109.522 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.26 -48.89 71.68 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.746 -0.596 . . . . 0.0 109.697 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -139.39 75.1 1.5 Allowed 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.519 0.676 . . . . 0.0 109.353 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.59 -165.4 1.54 Allowed 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.654 -0.654 . . . . 0.0 110.542 -179.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.618 ' HG1' ' N ' ' A' ' 420' ' ' NH2 . 1.7 t -165.6 169.96 14.77 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.379 -0.826 . . . . 0.0 110.229 -177.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . 0.618 ' N ' ' HG1' ' A' ' 419' ' ' THR . . . . . . . . 0 C--N 1.303 -1.434 0 O-C-N 119.258 -2.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.575 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.223 -0.321 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -80.94 -47.12 14.13 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.636 ' HB3' ' HE2' ' A' ' 407' ' ' MET . . . -68.39 168.67 12.14 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.424 -1.717 . . . . 0.0 108.583 176.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.25 13.04 3.75 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.334 -0.854 . . . . 0.0 109.537 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -104.21 -60.13 1.63 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.159 -0.963 . . . . 0.0 110.873 -175.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.636 ' HE2' ' HB3' ' A' ' 404' ' ' ALA . 2.7 mpp? -67.15 -36.35 81.64 Favored 'General case' 0 N--CA 1.509 2.49 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -4.27 23.49 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.788 176.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -96.68 -28.72 14.19 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.842 -0.537 . . . . 0.0 109.898 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 2.4 mt -94.79 -50.66 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.6 27.94 2.83 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.035 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -26.14 60.77 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.164 -0.96 . . . . 0.0 110.331 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.18 -37.66 69.9 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-O 121.577 0.704 . . . . 0.0 109.429 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.91 -30.32 12.44 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.028 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.58 -55.34 4.72 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.475 -0.765 . . . . 0.0 112.567 -177.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.54 -45.46 11.76 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.984 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.34 69.12 10.44 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.411 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 0.4 OUTLIER -167.84 178.3 5.29 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.58 -0.7 . . . . 0.0 110.647 -178.782 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 21.4 p -91.45 128.67 37.38 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.39 0.614 . . . . 0.0 110.557 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.466 0 O-C-N 119.353 -2.092 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.857 ' H3 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.497 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -81.7 -48.0 12.24 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.273 . . -53.2 160.64 1.04 Allowed 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.448 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.5 32.61 0.57 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -95.64 -46.94 6.42 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.149 -0.97 . . . . 0.0 109.051 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.857 ' SD ' ' H3 ' ' A' ' 402' ' ' ACE . 0.0 OUTLIER -67.88 -29.83 69.04 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 175.782 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.546 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 20.4 t -74.63 -9.12 58.26 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 122.693 0.397 . . . . 0.0 110.303 176.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -109.0 6.75 25.43 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.4 mt -77.67 -114.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.454 -0.779 . . . . 0.0 110.121 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.42 45.13 0.37 Allowed 'General case' 0 N--CA 1.524 3.273 0 CA-C-N 119.675 1.125 . . . . 0.0 112.401 -179.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.546 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -94.96 -10.15 31.89 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.178 -0.951 . . . . 0.0 111.908 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 413' ' ' LEU . 3.1 mt -66.15 -46.07 78.72 Favored 'General case' 0 N--CA 1.508 2.474 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -36.77 76.85 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.975 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.22 164.72 6.62 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.832 -0.542 . . . . 0.0 110.746 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.05 -74.47 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.558 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.547 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.8 89.02 0.08 Allowed 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 122.202 1.001 . . . . 0.0 108.421 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -152.28 -177.11 5.99 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.774 -0.579 . . . . 0.0 111.025 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.572 ' HG1' ' N ' ' A' ' 420' ' ' NH2 . 1.2 t -150.67 166.6 29.87 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.826 -0.546 . . . . 0.0 110.194 -177.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . 0.572 ' N ' ' HG1' ' A' ' 419' ' ' THR . . . . . . . . 0 C--N 1.302 -1.468 0 O-C-N 119.286 -2.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.462 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -80.06 -47.84 14.22 Favored 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 105.872 -1.899 . . . . 0.0 105.872 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -61.76 158.99 14.45 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 113.262 -1.79 . . . . 0.0 108.711 176.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.5 mt-10 -83.84 28.6 0.58 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.008 -1.057 . . . . 0.0 108.843 175.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -104.99 -66.1 1.0 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.073 -1.017 . . . . 0.0 109.833 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.416 ' HB2' ' HE3' ' A' ' 407' ' ' MET . 4.8 mtm -65.56 -31.59 72.73 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.721 178.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.499 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 7.5 t -87.5 13.03 10.87 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 1.8 tt0 -100.91 -30.08 11.85 Favored 'General case' 0 N--CA 1.511 2.595 0 C-N-CA 123.384 0.674 . . . . 0.0 110.824 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.7 mt -80.18 -56.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -95.86 36.28 1.31 Allowed 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.702 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.502 ' NE ' ' HA ' ' A' ' 409' ' ' GLN . 6.7 mtp180 -61.73 -29.84 70.38 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.73 -1.232 . . . . 0.0 108.888 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.6 mt -54.12 -34.37 60.12 Favored 'General case' 0 N--CA 1.514 2.751 0 CA-C-O 121.701 0.762 . . . . 0.0 109.561 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 414' ' ' LEU . 0.5 OUTLIER -93.86 -32.37 13.96 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.538 177.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 415' ' ' SER . . . . . 0.501 ' HB3' ' HA ' ' A' ' 412' ' ' ARG . 8.6 t -77.49 -120.08 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 122.008 -0.432 . . . . 0.0 110.951 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -69.63 52.35 0.11 Allowed 'General case' 0 N--CA 1.514 2.752 0 O-C-N 121.274 -0.891 . . . . 0.0 112.568 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -116.05 75.87 0.98 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.602 -1.311 . . . . 0.0 108.515 178.351 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.509 ' C ' HG23 ' A' ' 419' ' ' THR . 0.3 OUTLIER -138.37 29.06 2.46 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.746 -0.596 . . . . 0.0 110.848 -179.074 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.509 HG23 ' C ' ' A' ' 418' ' ' LYS . 0.5 OUTLIER 68.09 125.55 0.02 OUTLIER 'General case' 0 N--CA 1.515 2.809 0 O-C-N 120.933 -1.105 . . . . 0.0 110.166 178.584 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.473 0 O-C-N 119.139 -2.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.542 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.449 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -79.68 -48.95 12.84 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.439 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -66.99 158.51 30.74 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 113.336 -1.756 . . . . 0.0 108.995 175.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.43 27.9 0.57 Allowed 'General case' 0 N--CA 1.509 2.484 0 O-C-N 121.176 -0.952 . . . . 0.0 108.452 173.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -53.19 2.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.165 -0.959 . . . . 0.0 110.726 -176.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.542 ' HB2' ' H1 ' ' A' ' 402' ' ' ACE . 2.8 mpp? -65.45 -39.73 92.38 Favored 'General case' 0 N--CA 1.513 2.689 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.545 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 8.4 t -70.23 -2.65 13.9 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.766 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -110.27 1.47 18.61 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.0 mt -75.45 -105.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.673 -0.642 . . . . 0.0 111.264 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 43.59 0.65 Allowed 'General case' 0 N--CA 1.521 3.12 0 O-C-N 121.054 -1.028 . . . . 0.0 111.54 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.545 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -99.68 -5.84 28.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.034 -1.042 . . . . 0.0 112.85 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 413' ' ' LEU . 5.4 mt -58.18 -39.73 79.64 Favored 'General case' 0 N--CA 1.513 2.681 0 CA-C-O 121.274 0.559 . . . . 0.0 110.231 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -22.9 64.77 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 122.985 0.514 . . . . 0.0 111.99 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 7.4 t -85.94 -178.84 6.67 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.514 -0.741 . . . . 0.0 110.933 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.85 69.03 4.95 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.427 -0.796 . . . . 0.0 109.908 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 417' ' ' LYS . 13.2 ttpp -90.64 60.15 4.45 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.274 -0.891 . . . . 0.0 108.855 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.19 67.32 0.05 OUTLIER 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.621 -0.674 . . . . 0.0 109.485 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.2 p 69.22 109.02 0.05 Allowed 'General case' 0 N--CA 1.518 2.944 0 C-N-CA 123.37 0.668 . . . . 0.0 110.337 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.552 0 O-C-N 118.64 -2.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.797 ' H1 ' ' HE3' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.45 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -79.28 -37.92 36.67 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -77.19 153.1 34.44 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 113.562 -1.654 . . . . 0.0 108.14 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 10.1 mm-40 -84.23 34.11 0.51 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.96 -1.088 . . . . 0.0 108.257 174.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -100.75 -55.39 2.59 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.991 -1.068 . . . . 0.0 108.581 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.797 ' HE3' ' H1 ' ' A' ' 402' ' ' ACE . 2.5 mpp? -65.61 -27.85 68.7 Favored 'General case' 0 N--CA 1.509 2.512 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 175.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.492 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 22.7 t -85.35 -0.0 53.44 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.731 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.475 ' HA ' ' HG2' ' A' ' 412' ' ' ARG . 5.3 tp60 -98.94 -24.38 14.97 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.684 -0.635 . . . . 0.0 110.786 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.17 -47.81 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.52 28.74 2.84 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 408' ' ' SER . 0.1 OUTLIER -56.82 -27.13 59.59 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.199 -0.938 . . . . 0.0 110.484 178.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.5 mt -55.47 -41.01 72.35 Favored 'General case' 0 N--CA 1.515 2.786 0 CA-C-O 121.677 0.751 . . . . 0.0 109.437 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.09 -30.38 13.07 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.018 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 1.1 t -70.72 138.47 50.58 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.524 -0.735 . . . . 0.0 111.642 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -80.56 78.89 7.25 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -97.23 62.75 1.8 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.21 127.33 1.22 Allowed 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 121.567 0.699 . . . . 0.0 110.662 -178.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.478 ' HG1' ' N ' ' A' ' 420' ' ' NH2 . 1.2 t -69.86 -96.02 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.269 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.516 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . 0.478 ' N ' ' HG1' ' A' ' 419' ' ' THR . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 118.545 -2.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.943 ' H1 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.49 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -80.65 -48.07 13.15 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -67.85 146.11 53.99 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 113.032 -1.895 . . . . 0.0 108.507 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.06 40.4 0.82 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 174.736 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -103.7 -67.27 0.9 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.834 -1.166 . . . . 0.0 109.063 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.943 ' SD ' ' H1 ' ' A' ' 402' ' ' ACE . 1.6 pmm? -61.61 -33.72 74.4 Favored 'General case' 0 N--CA 1.513 2.677 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 28.1 t -76.25 -3.64 37.62 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.439 176.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -100.03 -35.57 9.66 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.671 -0.643 . . . . 0.0 110.294 179.59 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.58 -42.23 14.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.228 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -93.96 5.6 51.15 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -22.21 60.83 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.501 -0.749 . . . . 0.0 110.751 177.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.1 mt -57.46 -28.87 63.75 Favored 'General case' 0 N--CA 1.51 2.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.01 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -20.71 59.64 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.702 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 5.2 t -94.34 106.6 18.58 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.428 -0.795 . . . . 0.0 109.548 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.32 77.81 5.84 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -106.36 36.27 2.66 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.92 -0.487 . . . . 0.0 111.054 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -128.14 42.04 3.39 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.423 -0.798 . . . . 0.0 109.747 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 4.5 t 39.73 74.99 0.08 Allowed 'General case' 0 N--CA 1.522 3.165 0 C-N-CA 123.633 0.773 . . . . 0.0 112.191 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.2 -2.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.52 ' H1 ' ' HE3' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.221 -0.417 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -79.75 -47.44 15.26 Favored 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.55 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -68.18 157.61 35.02 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.204 -1.816 . . . . 0.0 109.017 176.476 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 10.7 tp10 -84.35 29.56 0.58 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.202 -0.936 . . . . 0.0 108.492 174.805 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -100.98 -55.19 2.62 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.316 -0.865 . . . . 0.0 109.35 -177.606 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.55 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 5.2 mtm -65.78 -33.27 75.48 Favored 'General case' 0 N--CA 1.513 2.725 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 177.826 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.42 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 29.2 t -72.17 -9.55 58.59 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.222 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 6.3 tt0 -111.48 10.4 21.35 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -176.758 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.1 mt -73.31 -110.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.449 -0.782 . . . . 0.0 110.76 -177.842 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -81.93 30.84 0.37 Allowed 'General case' 0 N--CA 1.522 3.162 0 O-C-N 120.565 -1.335 . . . . 0.0 111.776 -179.466 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.44 ' HD2' ' N ' ' A' ' 412' ' ' ARG . 0.0 OUTLIER -68.56 -24.35 64.61 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.365 -0.835 . . . . 0.0 110.655 178.321 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.437 ' N ' HD23 ' A' ' 413' ' ' LEU . 0.6 OUTLIER -66.53 -30.51 70.84 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.922 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.25 -51.4 5.18 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.835 0.454 . . . . 0.0 110.392 -179.416 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 2.1 m -84.48 71.75 10.7 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.414 0.626 . . . . 0.0 109.928 -178.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.75 -41.52 64.11 Favored 'General case' 0 N--CA 1.513 2.692 0 O-C-N 122.071 -0.393 . . . . 0.0 110.765 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -124.76 41.5 3.49 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.243 0.544 . . . . 0.0 110.464 -179.452 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.7 96.89 3.32 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.494 -0.754 . . . . 0.0 109.125 179.451 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.3 p 62.24 27.77 16.63 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.5 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.164 0 O-C-N 118.489 -2.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.753 ' H1 ' ' CG ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.223 -0.295 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -80.15 -48.67 12.81 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.679 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -62.37 159.81 14.59 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 113.414 -1.721 . . . . 0.0 108.396 175.763 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 3.6 mt-10 -83.37 25.71 0.71 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.844 -1.16 . . . . 0.0 108.96 174.877 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.528 ' HA ' ' NE ' ' A' ' 406' ' ' ARG . 7.9 tpm_? -107.56 -69.25 0.85 Allowed 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.897 -1.127 . . . . 0.0 111.847 -174.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.753 ' CG ' ' H1 ' ' A' ' 402' ' ' ACE . 1.0 OUTLIER -66.24 -31.79 72.83 Favored 'General case' 0 N--CA 1.513 2.7 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.847 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.576 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -74.04 -4.13 33.56 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.035 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.6 OUTLIER -109.47 0.46 19.31 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.943 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.9 mt -74.45 -107.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.735 -0.603 . . . . 0.0 111.195 -177.634 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -80.91 45.81 0.85 Allowed 'General case' 0 N--CA 1.519 3.011 0 O-C-N 120.96 -1.087 . . . . 0.0 111.12 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.576 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.43 8.16 45.23 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.188 -0.945 . . . . 0.0 112.176 -179.6 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.516 ' N ' HD23 ' A' ' 413' ' ' LEU . 0.3 OUTLIER -89.6 9.26 27.48 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.768 -0.583 . . . . 0.0 111.0 179.056 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.4 -53.04 3.59 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.5 -0.75 . . . . 0.0 109.316 -179.855 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 7.5 t -95.9 -174.81 3.23 Favored 'General case' 0 N--CA 1.503 2.183 0 CA-C-O 121.191 0.52 . . . . 0.0 110.447 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.04 39.25 2.19 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.543 -0.723 . . . . 0.0 110.762 -179.711 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.5 74.52 0.89 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.214 -0.929 . . . . 0.0 109.066 179.61 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 419' ' ' THR . 18.1 ttpp -158.04 155.64 29.67 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-O 121.97 0.891 . . . . 0.0 110.863 -179.495 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.6 ' HG1' ' N ' ' A' ' 420' ' ' NH2 . 1.8 t -117.33 -119.38 0.31 Allowed 'General case' 0 N--CA 1.499 1.988 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.622 -179.445 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . 0.6 ' N ' ' HG1' ' A' ' 419' ' ' THR . . . . . . . . 0 C--N 1.309 -1.182 0 O-C-N 118.605 -2.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.829 ' H3 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.218 -0.559 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -82.3 -47.13 12.74 Favored 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.267 . . -52.4 161.4 0.67 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 112.88 -1.964 . . . . 0.0 112.005 177.39 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -85.14 32.18 0.55 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 173.198 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.28 -47.58 5.39 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.134 -0.979 . . . . 0.0 109.514 -177.795 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.829 ' SD ' ' H3 ' ' A' ' 402' ' ' ACE . 0.0 OUTLIER -67.07 -30.21 70.2 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 176.63 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.56 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 8.7 t -76.41 -2.42 31.85 Favored 'General case' 0 N--CA 1.501 2.112 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 176.817 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -109.29 0.32 19.51 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.404 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.3 mt -71.99 -107.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.474 -0.766 . . . . 0.0 111.083 -178.079 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -81.53 45.47 0.88 Allowed 'General case' 0 N--CA 1.52 3.027 0 O-C-N 120.921 -1.112 . . . . 0.0 111.022 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.56 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.95 7.78 45.67 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.265 -0.897 . . . . 0.0 112.242 -179.327 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.587 ' N ' HD23 ' A' ' 413' ' ' LEU . 0.8 OUTLIER -89.02 12.02 16.69 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.726 -0.609 . . . . 0.0 110.532 178.932 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.74 -52.76 3.63 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.445 -0.784 . . . . 0.0 109.477 -179.863 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 6.1 t -94.48 173.91 7.39 Favored 'General case' 0 N--CA 1.506 2.359 0 CA-C-O 120.821 0.343 . . . . 0.0 110.988 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.27 -48.15 0.49 Allowed 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 123.52 0.728 . . . . 0.0 111.971 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.74 -46.35 1.72 Allowed 'General case' 0 N--CA 1.5 2.065 0 CA-C-N 119.191 0.905 . . . . 0.0 110.629 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp 67.49 95.83 0.06 Allowed 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 122.838 0.455 . . . . 0.0 110.642 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 48.0 p 53.89 95.71 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.458 0 C-N-CA 124.368 1.067 . . . . 0.0 112.396 177.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.396 0 O-C-N 119.355 -2.091 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.601 ' H1 ' ' HE3' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.221 -0.446 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -80.46 -48.48 12.77 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -66.2 158.76 27.96 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 113.15 -1.841 . . . . 0.0 109.251 176.177 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 12.0 tp10 -84.46 29.99 0.57 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.097 -1.002 . . . . 0.0 108.68 175.092 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -103.31 -53.32 2.83 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.782 -1.199 . . . . 0.0 110.112 -176.873 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.601 ' HE3' ' H1 ' ' A' ' 402' ' ' ACE . 2.9 mpp? -66.49 -40.19 89.15 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 176.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.566 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 33.1 t -65.67 -10.74 38.95 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.261 176.181 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 5.7 tt0 -109.2 7.0 25.22 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -176.799 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.3 mt -74.36 -100.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.289 -0.882 . . . . 0.0 110.415 -178.617 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -84.18 38.81 0.68 Allowed 'General case' 0 N--CA 1.517 2.915 0 O-C-N 120.953 -1.092 . . . . 0.0 110.388 179.267 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.566 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.1 OUTLIER -100.83 17.36 22.31 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.246 -0.909 . . . . 0.0 112.49 -178.112 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.429 ' N ' HD23 ' A' ' 413' ' ' LEU . 2.9 mt -82.01 15.82 2.16 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.421 -0.799 . . . . 0.0 110.922 179.184 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.407 ' HA ' HD13 ' A' ' 414' ' ' LEU . 2.6 mm? -96.16 -52.08 4.16 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 121.271 -0.893 . . . . 0.0 109.097 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.2 t -91.6 -178.1 4.98 Favored 'General case' 0 N--CA 1.505 2.299 0 CA-C-O 121.399 0.619 . . . . 0.0 110.796 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.04 82.85 1.81 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.665 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -105.98 50.47 0.78 Allowed 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.62 -0.675 . . . . 0.0 109.704 179.75 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -164.2 91.41 0.61 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.211 -0.93 . . . . 0.0 110.24 -179.746 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 43.5 p 48.73 76.36 0.12 Allowed 'General case' 0 N--CA 1.502 2.164 0 CA-C-O 121.361 0.601 . . . . 0.0 111.61 178.228 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.453 0 O-C-N 119.385 -2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.651 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.223 -0.319 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -79.57 -51.03 9.82 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.472 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -65.44 168.55 7.1 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.215 175.22 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -82.5 15.22 2.63 Favored 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 118.928 -1.109 . . . . 0.0 109.71 175.545 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.413 ' HB2' ' NH2' ' A' ' 406' ' ' ARG . 0.0 OUTLIER -104.2 -59.83 1.67 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.364 -0.835 . . . . 0.0 110.812 -176.833 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.651 ' HB2' ' H1 ' ' A' ' 402' ' ' ACE . 5.7 mtm -66.08 -32.04 73.27 Favored 'General case' 0 N--CA 1.514 2.748 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.345 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.547 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -74.09 -4.19 34.06 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.859 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 33.9 tt0 -112.32 4.05 17.43 Favored 'General case' 0 N--CA 1.502 2.16 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -176.599 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.2 mt -73.76 -109.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.187 -0.945 . . . . 0.0 111.861 -176.679 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 29.46 0.37 Allowed 'General case' 0 N--CA 1.524 3.271 0 O-C-N 120.752 -1.217 . . . . 0.0 111.191 -178.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.547 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -64.29 -19.77 65.64 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.002 -1.061 . . . . 0.0 112.065 179.321 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.08 -38.97 92.51 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.779 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 414' ' ' LEU . 3.7 mm? -99.9 -47.77 4.91 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.015 -179.415 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 2.4 m -66.38 -178.67 0.69 Allowed 'General case' 0 N--CA 1.51 2.531 0 O-C-N 122.121 -0.362 . . . . 0.0 111.603 -178.755 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 4.51 -93.67 0.0 OUTLIER 'General case' 0 N--CA 1.533 3.723 0 C-N-CA 125.095 1.358 . . . . 0.0 113.661 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.31 78.85 0.25 Allowed 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 123.146 1.45 . . . . 0.0 108.142 178.686 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.444 ' HB3' ' NZ ' ' A' ' 418' ' ' LYS . 0.0 OUTLIER -132.65 65.76 1.58 Allowed 'General case' 0 N--CA 1.49 1.553 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.406 -177.231 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 2.5 t 37.94 79.65 0.03 OUTLIER 'General case' 0 N--CA 1.525 3.284 0 C-N-CA 123.597 0.759 . . . . 0.0 112.69 178.402 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 118.926 -2.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.254 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -80.13 -41.6 25.12 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -68.44 158.97 32.55 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 113.612 -1.631 . . . . 0.0 109.469 176.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.3 mt-10 -85.44 32.92 0.56 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.491 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -66.86 0.96 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.046 -1.034 . . . . 0.0 111.087 -175.404 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.461 ' HE3' ' H ' ' A' ' 407' ' ' MET . 5.8 mtm -57.16 -44.48 83.52 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.691 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -62.62 -42.08 99.38 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.02 177.589 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 2.4 tp60 -51.45 -24.74 5.35 Favored 'General case' 0 N--CA 1.511 2.613 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 178.27 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 6.3 mt -81.66 -65.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 121.821 -0.55 . . . . 0.0 110.401 179.504 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.34 19.66 18.37 Favored 'General case' 0 N--CA 1.518 2.953 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.114 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 408' ' ' SER . 27.1 mtt180 -60.39 -21.39 62.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.839 -1.163 . . . . 0.0 110.902 178.187 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 413' ' ' LEU . 0.8 OUTLIER -66.93 -29.66 69.59 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 120.96 0.409 . . . . 0.0 110.346 179.1 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.92 -45.31 9.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.54 75.64 10.13 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.8 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 417' ' ' LYS . 0.8 OUTLIER -62.79 -31.59 72.6 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 121.836 -0.54 . . . . 0.0 110.956 -179.656 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.444 ' HE3' ' HB3' ' A' ' 417' ' ' LYS . 11.6 ttpp -121.17 42.07 3.16 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.63 -0.669 . . . . 0.0 109.661 179.781 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.75 -179.46 2.12 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.24 -0.912 . . . . 0.0 110.509 -179.648 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.641 ' HG1' ' N ' ' A' ' 420' ' ' NH2 . 1.9 t -136.27 175.92 9.17 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.814 -178.625 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . 0.641 ' N ' ' HG1' ' A' ' 419' ' ' THR . . . . . . . . 0 C--N 1.302 -1.49 0 O-C-N 118.574 -2.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.504 ' H1 ' ' HE3' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.221 -0.443 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -79.79 -47.78 14.66 Favored 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.502 ' HB3' ' HE2' ' A' ' 407' ' ' MET . . . -65.9 160.72 22.76 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.397 176.732 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.03 29.09 0.57 Allowed 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.36 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.08 -62.01 1.4 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.99 -1.069 . . . . 0.0 110.884 -175.676 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.504 ' HE3' ' H1 ' ' A' ' 402' ' ' ACE . 6.5 mtm -59.95 -38.8 83.49 Favored 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.862 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 9.2 t -79.7 4.52 15.95 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 177.812 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 412' ' ' ARG . 0.9 OUTLIER -102.54 -43.67 5.57 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.647 0.737 . . . . 0.0 109.709 -179.723 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.4 mt -89.51 -45.46 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.057 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -95.55 34.66 1.44 Allowed 'General case' 0 N--CA 1.509 2.515 0 CA-C-O 120.761 0.315 . . . . 0.0 111.3 -179.288 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -90.19 -7.4 53.7 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.024 -1.047 . . . . 0.0 111.625 178.444 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 413' ' ' LEU . 4.3 mt -59.71 -28.66 67.52 Favored 'General case' 0 N--CA 1.514 2.763 0 CA-C-N 118.302 0.501 . . . . 0.0 109.947 178.636 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.05 -15.23 62.87 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 119.449 -0.31 . . . . 0.0 110.74 178.407 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 67.8 m -57.64 126.93 29.51 Favored 'General case' 0 N--CA 1.503 2.191 0 CA-C-N 118.886 0.766 . . . . 0.0 109.705 179.389 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.77 -54.94 23.38 Favored 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -127.45 87.89 2.7 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.116 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.58 178.18 3.71 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 121.544 -0.723 . . . . 0.0 111.149 -178.905 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.11 -61.54 0.66 Allowed 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -178.341 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.042 -2.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.576 ' H1 ' ' HE3' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.221 -0.437 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -79.86 -49.21 12.29 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.473 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -63.68 156.72 26.05 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.4 -1.727 . . . . 0.0 108.575 175.635 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.75 30.09 0.51 Allowed 'General case' 0 N--CA 1.507 2.386 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 174.362 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.8 -59.06 1.8 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.92 -1.112 . . . . 0.0 110.789 -176.213 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.576 ' HE3' ' H1 ' ' A' ' 402' ' ' ACE . 2.1 mpp? -62.39 -33.55 74.98 Favored 'General case' 0 N--CA 1.519 3.024 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.193 179.203 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.515 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 31.2 t -81.06 -3.99 53.74 Favored 'General case' 0 N--CA 1.499 1.999 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.369 177.768 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.524 ' HG2' ' HD2' ' A' ' 412' ' ' ARG . 0.4 OUTLIER -100.67 -8.59 22.71 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 123.317 0.647 . . . . 0.0 111.9 179.824 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.435 ' HB ' ' HD3' ' A' ' 411' ' ' LYS . 2.1 mt -95.12 -52.8 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.745 -0.597 . . . . 0.0 109.683 -179.396 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.435 ' HD3' ' HB ' ' A' ' 410' ' ' ILE . 0.9 OUTLIER -93.35 35.06 1.11 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.139 179.084 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.524 ' HD2' ' HG2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -64.42 -27.21 68.84 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.353 -0.842 . . . . 0.0 108.95 177.417 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.28 -31.13 69.95 Favored 'General case' 0 N--CA 1.505 2.325 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 176.735 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -38.82 11.88 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.373 0.669 . . . . 0.0 110.428 179.521 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.11 -17.33 40.49 Favored 'General case' 0 N--CA 1.515 2.816 0 O-C-N 121.441 -0.787 . . . . 0.0 113.1 -178.686 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 36.83 49.76 0.79 Allowed 'General case' 0 N--CA 1.527 3.42 0 C-N-CA 124.385 1.074 . . . . 0.0 112.604 179.675 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 176.99 8.15 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.524 -0.735 . . . . 0.0 109.585 -178.725 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.83 -171.46 0.17 Allowed 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.753 -0.592 . . . . 0.0 111.812 178.526 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 3.0 p -104.17 -162.23 0.88 Allowed 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.904 -0.497 . . . . 0.0 111.001 -177.267 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.274 0 O-C-N 118.315 -2.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.616 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.223 -0.342 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -80.72 -46.03 16.16 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.449 ' HB3' ' HE2' ' A' ' 407' ' ' MET . . . -65.29 168.39 7.05 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 113.639 -1.619 . . . . 0.0 109.188 176.881 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -83.11 19.92 1.34 Allowed 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.397 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 406' ' ' ARG . 2.3 tpp85 -109.05 -66.69 1.03 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.407 -0.808 . . . . 0.0 111.501 -173.811 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.616 ' HB2' ' H1 ' ' A' ' 402' ' ' ACE . 8.0 mtm -64.43 -38.05 89.66 Favored 'General case' 0 N--CA 1.513 2.691 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.709 179.559 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.521 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 0.2 OUTLIER -65.92 -40.47 91.48 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.463 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.584 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 10.2 tt0 -53.07 -29.77 32.14 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.167 178.476 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -69.12 -27.46 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 122.147 -0.345 . . . . 0.0 111.042 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -94.83 -12.16 27.51 Favored 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.802 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.584 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.3 OUTLIER -95.69 17.54 14.77 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 118.895 0.77 . . . . 0.0 112.127 -179.463 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.86 -40.89 81.25 Favored 'General case' 0 N--CA 1.517 2.9 0 O-C-N 121.095 -1.003 . . . . 0.0 109.93 179.091 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.484 ' O ' HD12 ' A' ' 414' ' ' LEU . 2.2 pp -74.14 -6.72 49.34 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 1.6 m -71.8 100.41 2.37 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-N 119.723 1.147 . . . . 0.0 109.721 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -51.58 69.19 Favored 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.545 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.518 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -144.14 73.74 1.39 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.834 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.844 ' HD2' HG23 ' A' ' 419' ' ' THR . 0.0 OUTLIER -173.51 105.2 0.13 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.862 -0.524 . . . . 0.0 109.891 -178.915 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.844 HG23 ' HD2' ' A' ' 418' ' ' LYS . 22.8 p 57.61 90.9 0.04 OUTLIER 'General case' 0 N--CA 1.508 2.468 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.299 178.704 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.455 0 O-C-N 119.227 -2.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.471 ' H1 ' ' CE ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.461 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 1.9 pm0 -80.02 -37.88 33.18 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.431 ' HB3' ' HE1' ' A' ' 407' ' ' MET . . . -71.67 161.11 31.49 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 113.867 -1.515 . . . . 0.0 108.943 176.862 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.7 mm-40 -84.78 31.09 0.54 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 174.466 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.1 -63.6 1.27 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 111.094 -175.368 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.471 ' CE ' ' H1 ' ' A' ' 402' ' ' ACE . 2.3 mpp? -62.97 -36.98 85.3 Favored 'General case' 0 N--CA 1.512 2.63 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.705 -179.563 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.7 t -87.77 12.39 13.02 Favored 'General case' 0 C--O 1.203 -1.386 0 CA-C-O 119.146 -0.454 . . . . 0.0 109.997 178.189 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.586 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 4.4 tt0 -100.67 -51.19 3.65 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-O 121.945 0.878 . . . . 0.0 108.824 179.664 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.9 mt -65.58 -38.48 82.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.26 178.804 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.526 ' HD2' ' N ' ' A' ' 411' ' ' LYS . 0.1 OUTLIER -98.47 26.13 5.77 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 122.215 -0.303 . . . . 0.0 111.081 -179.369 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.586 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 1.4 mtp85 -59.43 -22.06 60.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.119 -0.988 . . . . 0.0 111.374 178.752 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.2 mt -60.89 -38.92 87.36 Favored 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.016 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.35 -37.74 10.82 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.411 179.014 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.89 73.98 7.89 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 76.29 5.77 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.64 0.733 . . . . 0.0 109.147 -179.733 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.446 ' HE3' ' HB3' ' A' ' 417' ' ' LYS . 11.9 ttpp -107.25 49.19 0.81 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.441 0.638 . . . . 0.0 109.3 179.914 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.744 ' HE2' HG23 ' A' ' 419' ' ' THR . 0.0 OUTLIER -155.38 93.03 1.46 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.081 -1.012 . . . . 0.0 110.121 -179.681 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.744 HG23 ' HE2' ' A' ' 418' ' ' LYS . 3.9 p 47.28 37.24 5.5 Favored 'General case' 0 N--CA 1.515 2.816 0 C-N-CA 122.726 0.41 . . . . 0.0 111.566 178.646 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.022 -2.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.52 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.219 -0.542 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -81.07 -47.69 13.2 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -57.7 163.92 2.32 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 113.488 -1.687 . . . . 0.0 109.752 176.111 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 7.9 mm-40 -83.44 27.45 0.6 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.024 -1.048 . . . . 0.0 108.648 175.039 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -107.81 -67.89 0.93 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.826 -1.171 . . . . 0.0 111.296 -175.536 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.52 ' HB2' ' H1 ' ' A' ' 402' ' ' ACE . 5.8 mtm -64.82 -34.78 79.18 Favored 'General case' 0 N--CA 1.515 2.782 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.155 -179.779 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.557 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.5 t -87.75 12.27 13.26 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.568 177.703 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 4.2 tp-100 -102.03 -30.13 11.37 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 123.674 0.79 . . . . 0.0 110.686 -179.88 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.8 mt -84.47 -52.17 12.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.409 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.06 29.17 2.51 Favored 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.714 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 408' ' ' SER . 4.3 mtp85 -56.94 -27.76 61.41 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.929 -1.107 . . . . 0.0 110.138 178.504 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.48 -42.54 70.83 Favored 'General case' 0 N--CA 1.515 2.797 0 CA-C-O 121.813 0.816 . . . . 0.0 109.594 178.301 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.51 -30.35 13.37 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.157 179.336 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.0 122.05 16.11 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.527 -0.733 . . . . 0.0 110.851 -178.817 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -113.18 23.56 13.19 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.976 -0.452 . . . . 0.0 110.593 179.193 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 52.42 1.82 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.014 -1.054 . . . . 0.0 108.986 -179.78 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -81.05 84.39 6.5 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.435 -0.79 . . . . 0.0 110.007 -179.291 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 39.1 p 47.47 76.97 0.1 Allowed 'General case' 0 N--CA 1.506 2.329 0 CA-C-O 121.478 0.656 . . . . 0.0 111.819 178.342 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.547 0 O-C-N 119.476 -2.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 402' ' ' ACE . . . . . 0.556 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.224 -0.274 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -79.9 -50.81 9.94 Favored 'General case' 0 N--CA 1.505 2.32 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.41 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -66.58 164.7 16.12 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 113.966 -1.47 . . . . 0.0 108.079 175.577 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 5.6 mm-40 -82.73 21.09 1.04 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.847 -1.158 . . . . 0.0 109.04 174.819 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -103.44 -64.16 1.11 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.183 -0.948 . . . . 0.0 109.165 -177.445 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.556 ' HB2' ' H1 ' ' A' ' 402' ' ' ACE . 7.1 mtm -66.27 -34.75 78.72 Favored 'General case' 0 N--CA 1.514 2.744 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.549 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.59 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.2 OUTLIER -71.43 -3.49 21.23 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 175.984 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.517 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 1.3 tp-100 -108.5 2.59 22.35 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -177.489 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.5 mt -73.25 -102.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.548 -0.72 . . . . 0.0 110.591 -178.056 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -83.39 40.96 0.75 Allowed 'General case' 0 N--CA 1.522 3.137 0 O-C-N 120.952 -1.092 . . . . 0.0 110.716 179.841 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.59 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -100.9 12.36 37.77 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.22 -0.925 . . . . 0.0 113.103 -178.047 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.539 ' N ' HD23 ' A' ' 413' ' ' LEU . 2.0 mt -84.31 14.64 4.19 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.519 -0.738 . . . . 0.0 110.803 178.919 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 414' ' ' LEU . 1.3 mm? -97.54 -51.83 3.99 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 121.409 -0.807 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.03 177.78 5.87 Favored 'General case' 0 N--CA 1.508 2.447 0 CA-C-O 121.628 0.728 . . . . 0.0 110.679 -179.926 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -74.6 70.75 1.84 Allowed 'General case' 0 N--CA 1.507 2.424 0 CA-C-O 121.829 0.823 . . . . 0.0 110.603 -179.453 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 68.86 6.6 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.895 -1.128 . . . . 0.0 108.203 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.852 ' HD2' HG23 ' A' ' 419' ' ' THR . 0.0 OUTLIER -140.49 106.41 5.17 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.741 -0.6 . . . . 0.0 110.538 -178.828 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.852 HG23 ' HD2' ' A' ' 418' ' ' LYS . 7.3 p 43.55 48.38 6.32 Favored 'General case' 0 N--CA 1.514 2.734 0 C-N-CA 123.588 0.755 . . . . 0.0 112.03 178.002 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 118.875 -2.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.532 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -66.83 156.47 35.53 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 113.152 -1.84 . . . . 0.0 109.34 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.33 34.2 0.57 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 175.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.86 -70.01 0.81 Allowed 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.939 -1.101 . . . . 0.0 111.704 -174.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.532 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 0.5 OUTLIER -61.67 -28.35 69.33 Favored 'General case' 0 N--CA 1.516 2.875 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.155 -179.433 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 1.9 t -79.46 -34.31 41.62 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 177.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.542 ' HA ' ' CG ' ' A' ' 412' ' ' ARG . 17.6 tt0 -54.21 -43.15 70.53 Favored 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 123.171 0.588 . . . . 0.0 111.024 178.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.8 mt -60.53 -26.92 39.04 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.01 -4.88 42.36 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.542 ' CG ' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -91.87 22.98 3.88 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 119.477 1.035 . . . . 0.0 110.849 178.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 413' ' ' LEU . 4.1 mt -60.08 -23.47 63.82 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.194 -0.941 . . . . 0.0 110.38 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.7 -18.11 56.94 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.74 0.416 . . . . 0.0 110.748 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.73 154.57 36.35 Favored 'General case' 0 N--CA 1.507 2.396 0 CA-C-N 119.142 0.883 . . . . 0.0 110.54 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.56 -72.24 0.06 Allowed 'General case' 0 N--CA 1.515 2.787 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.39 91.19 2.36 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 119.389 0.995 . . . . 0.0 110.362 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.414 ' HE3' ' HB2' ' A' ' 418' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.32 0 O-C-N 121.566 -0.709 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 N--CA 1.504 2.27 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.261 . . -57.75 164.14 2.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 113.044 -1.889 . . . . 0.0 112.005 177.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.03 31.99 0.54 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 173.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . 0.435 ' O ' HG13 ' A' ' 410' ' ' ILE . 0.0 OUTLIER -98.38 -51.01 4.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.873 -1.142 . . . . 0.0 108.828 -177.401 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -27.68 69.51 Favored 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 176.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 1.6 t -68.07 -49.03 63.86 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.646 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 2.6 tt0 -52.65 -48.66 66.3 Favored 'General case' 0 N--CA 1.51 2.555 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.771 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 406' ' ' ARG . 8.5 mt -66.51 -41.71 88.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.466 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -96.08 27.75 3.5 Favored 'General case' 0 N--CA 1.508 2.434 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.646 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -66.39 -16.64 64.24 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.861 -1.149 . . . . 0.0 111.507 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 413' ' ' LEU . 3.6 mt -60.42 -31.33 70.3 Favored 'General case' 0 N--CA 1.51 2.555 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 175.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -29.09 21.36 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.428 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 42.9 m -57.69 107.42 0.45 Allowed 'General case' 0 N--CA 1.505 2.322 0 CA-C-N 118.98 0.809 . . . . 0.0 109.906 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.85 88.91 5.24 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.576 -0.703 . . . . 0.0 109.354 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.94 67.28 9.75 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 121.598 0.713 . . . . 0.0 110.441 -178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 . . . . . 0 N--CA 1.505 2.3 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.271 . . -79.55 154.5 28.74 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-N 111.878 -2.419 . . . . 0.0 107.446 175.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 407' ' ' MET . 1.6 pm0 -66.73 118.62 10.53 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 101.737 -3.431 . . . . 0.0 101.737 171.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . 0.434 ' HG3' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -57.06 68.59 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.34 0 CA-C-O 121.474 0.654 . . . . 0.0 112.758 -175.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -90.71 -33.59 15.72 Favored 'General case' 0 N--CA 1.515 2.821 0 O-C-N 121.346 -0.846 . . . . 0.0 109.978 178.61 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 33.4 t -85.79 -27.46 25.15 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.499 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 1.6 tp-100 -54.75 -40.25 69.14 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 123.395 0.678 . . . . 0.0 110.539 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.8 mt -72.18 -48.8 47.26 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.906 0 CA-C-O 120.967 0.413 . . . . 0.0 109.924 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 34.76 1.49 Allowed 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.205 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.519 ' HA ' ' HB2' ' A' ' 415' ' ' SER . 8.8 mtm105 -63.58 -27.35 69.19 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.967 -1.083 . . . . 0.0 109.546 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 413' ' ' LEU . 2.6 mt -57.93 -33.6 68.98 Favored 'General case' 0 N--CA 1.509 2.521 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.47 -44.93 10.35 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.179 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . 0.519 ' HB2' ' HA ' ' A' ' 412' ' ' ARG . 2.9 m -55.84 -35.43 66.4 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.893 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.84 -31.24 48.67 Favored 'General case' 0 N--CA 1.508 2.468 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.768 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 33.89 3.6 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.444 -0.785 . . . . 0.0 110.105 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 418' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.5 2.074 0 O-C-N 121.167 -0.958 . . . . 0.0 109.918 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 N--CA 1.503 2.177 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.288 . . -64.37 161.6 16.6 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.551 -1.658 . . . . 0.0 111.371 177.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.78 33.63 0.59 Allowed 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.75 -50.69 5.77 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.062 -1.024 . . . . 0.0 108.285 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -65.5 -27.33 68.4 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.413 176.268 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.486 ' O ' ' HG3' ' A' ' 412' ' ' ARG . 1.2 t -76.28 -42.61 44.91 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.43 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 11.6 tt0 -51.13 -29.77 14.49 Favored 'General case' 0 N--CA 1.516 2.87 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -71.86 -46.04 62.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . 0.474 ' C ' ' HD3' ' A' ' 411' ' ' LYS . 0.1 OUTLIER -96.54 12.22 32.34 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 122.872 0.469 . . . . 0.0 111.926 -179.082 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -70.5 2.21 4.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.237 -1.539 . . . . 0.0 113.044 -179.587 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 413' ' ' LEU . 5.7 mt -57.13 -41.55 79.27 Favored 'General case' 0 N--CA 1.515 2.795 0 CA-C-N 119.102 0.864 . . . . 0.0 109.711 178.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -21.46 32.94 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.253 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.9 m -70.87 -172.73 0.69 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.422 -0.798 . . . . 0.0 110.441 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -47.2 -45.77 23.45 Favored 'General case' 0 N--CA 1.52 3.033 0 O-C-N 121.192 -0.942 . . . . 0.0 111.186 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 417' ' ' LYS . 0.3 OUTLIER 35.5 81.56 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.372 0 C-N-CA 124.785 1.234 . . . . 0.0 109.878 177.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm . . . . . 0 N--CA 1.486 1.326 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.002 -175.945 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.506 2.348 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.28 . . -51.98 162.2 0.49 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.033 -1.894 . . . . 0.0 111.756 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -85.12 32.57 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . 0.446 ' HA ' ' HD2' ' A' ' 406' ' ' ARG . 6.7 tpt85 -97.03 -46.8 6.04 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.928 -1.107 . . . . 0.0 109.322 -177.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -29.15 69.55 Favored 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.522 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 21.8 t -76.81 -11.17 59.79 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.396 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -109.18 7.62 25.54 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.9 mt -76.26 -105.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.367 -0.833 . . . . 0.0 110.643 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.51 44.54 0.9 Allowed 'General case' 0 N--CA 1.518 2.97 0 O-C-N 120.997 -1.064 . . . . 0.0 111.029 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.522 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -97.32 3.84 51.04 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.248 -0.908 . . . . 0.0 112.596 -179.453 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.8 OUTLIER -87.58 -46.34 9.64 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -38.18 65.77 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.902 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.33 153.67 37.69 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-O 121.369 0.604 . . . . 0.0 110.809 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.73 28.68 8.58 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.956 -0.465 . . . . 0.0 110.657 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . 0.469 ' HE2' ' HB2' ' A' ' 417' ' ' LYS . 1.3 mppt? -101.9 58.26 0.83 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.259 -0.901 . . . . 0.0 109.666 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.296 0 O-C-N 121.567 -0.708 . . . . 0.0 109.848 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 N--CA 1.504 2.249 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.53 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -61.31 166.87 3.54 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.393 -1.73 . . . . 0.0 109.299 176.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.4 tp10 -84.13 21.01 1.44 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.16 -0.963 . . . . 0.0 109.448 175.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -105.55 -66.02 1.01 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.387 -0.821 . . . . 0.0 109.977 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.53 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 3.7 mtm -66.34 -26.37 67.26 Favored 'General case' 0 N--CA 1.513 2.716 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.312 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -89.6 8.81 29.45 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.425 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.575 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 13.9 tt0 -102.94 -45.37 4.98 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-O 121.446 0.641 . . . . 0.0 110.924 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.8 mt -64.42 -45.87 94.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.266 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.1 33.94 1.46 Allowed 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.483 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.575 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 1.5 mtp85 -69.91 -25.97 63.94 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.893 -1.129 . . . . 0.0 109.474 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.6 OUTLIER -63.87 -43.48 95.93 Favored 'General case' 0 N--CA 1.509 2.483 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 177.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.71 -35.52 65.14 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.756 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 44.5 m -59.97 111.4 1.47 Allowed 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 114.47 6.7 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.874 -0.517 . . . . 0.0 109.998 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' A' ' 417' ' ' LYS . 0.0 OUTLIER 57.77 91.21 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 121.963 0.887 . . . . 0.0 108.912 179.417 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.475 ' HB3' ' HE2' ' A' ' 418' ' ' LYS . 4.6 ttpt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 122.238 1.018 . . . . 0.0 110.303 -177.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.503 2.177 0 N-CA-C 104.676 -2.342 . . . . 0.0 104.676 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.649 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -68.91 149.24 49.1 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.112 -1.858 . . . . 0.0 107.705 175.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.1 pm0 -84.18 32.44 0.49 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.089 -1.007 . . . . 0.0 108.468 175.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -104.4 -60.6 1.57 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.312 -0.868 . . . . 0.0 110.396 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.649 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 1.4 ptp -63.89 -34.49 78.05 Favored 'General case' 0 N--CA 1.515 2.803 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.556 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 11.7 t -75.21 -4.67 40.29 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.8 OUTLIER -109.03 2.97 21.61 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -177.241 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.5 mt -77.14 -112.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.596 -0.69 . . . . 0.0 109.833 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -76.45 46.31 0.42 Allowed 'General case' 0 N--CA 1.527 3.417 0 CA-C-N 119.748 1.158 . . . . 0.0 111.924 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.556 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.97 -5.15 31.08 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.082 -1.011 . . . . 0.0 112.684 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.8 OUTLIER -72.91 -48.87 33.34 Favored 'General case' 0 N--CA 1.511 2.579 0 CA-C-O 121.582 0.706 . . . . 0.0 109.62 179.78 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -36.48 80.68 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.786 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.7 t -79.39 175.87 10.21 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.784 0.802 . . . . 0.0 111.122 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.92 40.26 0.39 Allowed 'General case' 0 N--CA 1.513 2.721 0 O-C-N 121.631 -0.668 . . . . 0.0 112.496 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.48 77.73 1.57 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.402 -1.436 . . . . 0.0 110.773 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.244 0 O-C-N 121.588 -0.695 . . . . 0.0 109.686 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 4.6 pm0 . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.441 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -74.93 149.45 39.41 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 113.228 -1.805 . . . . 0.0 108.363 176.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.7 mm-40 -84.09 35.1 0.52 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 174.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -102.46 -59.57 1.68 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.23 -0.919 . . . . 0.0 109.856 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.441 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 1.8 ptp -67.38 -33.08 74.47 Favored 'General case' 0 N--CA 1.513 2.696 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.55 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 29.4 t -68.75 -10.93 59.38 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.515 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.8 OUTLIER -108.44 7.38 26.95 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -177.201 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . 0.445 HG22 ' HD2' ' A' ' 411' ' ' LYS . 7.2 mt -75.66 -103.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.512 -0.743 . . . . 0.0 110.578 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . 0.445 ' HD2' HG22 ' A' ' 410' ' ' ILE . 11.1 mptt -83.67 43.24 0.89 Allowed 'General case' 0 N--CA 1.517 2.891 0 O-C-N 120.985 -1.072 . . . . 0.0 110.343 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.55 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -99.02 12.4 36.13 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.342 -0.849 . . . . 0.0 112.447 -178.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.7 OUTLIER -92.39 18.06 8.97 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.587 -0.695 . . . . 0.0 109.844 178.276 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -48.57 4.61 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.34 -0.85 . . . . 0.0 110.842 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.2 t -86.77 178.93 6.86 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-O 121.459 0.647 . . . . 0.0 111.771 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.13 27.28 7.85 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 121.817 -0.552 . . . . 0.0 111.283 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.08 118.65 35.35 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 418' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.987 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.958 -176.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 N--CA 1.504 2.236 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -77.97 156.47 30.19 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 113.745 -1.57 . . . . 0.0 108.165 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.1 tm-20 -83.92 29.3 0.55 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.0 -1.063 . . . . 0.0 108.521 175.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -99.37 -55.47 2.67 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.128 -0.982 . . . . 0.0 109.027 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -66.73 -31.22 71.73 Favored 'General case' 0 N--CA 1.515 2.8 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.469 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 37.1 t -81.62 2.12 30.86 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.64 177.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.52 ' HA ' ' CD ' ' A' ' 412' ' ' ARG . 1.1 tm0? -101.94 -22.4 14.32 Favored 'General case' 0 N--CA 1.508 2.433 0 O-C-N 121.596 -0.69 . . . . 0.0 111.737 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 5.5 mt -90.63 -51.9 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 CA-C-O 121.202 0.525 . . . . 0.0 110.046 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 32.46 1.66 Allowed 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.202 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.52 ' CD ' ' HA ' ' A' ' 409' ' ' GLN . 7.5 mtp180 -62.94 -29.2 70.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.247 -0.908 . . . . 0.0 109.197 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 413' ' ' LEU . 2.3 mt -57.08 -36.96 71.2 Favored 'General case' 0 N--CA 1.515 2.798 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.28 -38.27 17.7 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.098 178.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.3 83.43 3.75 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.515 0.674 . . . . 0.0 109.421 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -82.71 69.64 9.54 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.97 67.99 9.95 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.746 -0.596 . . . . 0.0 109.674 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 . . . . . 0 N--CA 1.502 2.141 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.645 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -66.13 153.25 42.86 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.36 -1.746 . . . . 0.0 108.467 175.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -83.82 31.4 0.48 Allowed 'General case' 0 N--CA 1.509 2.482 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 174.514 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 406' ' ' ARG . 0.0 OUTLIER -106.93 -65.56 1.08 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.345 -0.847 . . . . 0.0 112.076 -174.516 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.645 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 1.5 ptp -63.55 -29.96 71.15 Favored 'General case' 0 N--CA 1.514 2.729 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.086 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.5 t -89.78 12.7 16.34 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.52 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 6.8 tp-100 -107.11 -49.85 3.2 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.906 0.86 . . . . 0.0 110.29 -177.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.5 mt -68.1 -43.54 85.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.261 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 28.65 2.61 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.149 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.52 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.3 OUTLIER -62.77 -22.89 66.92 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.295 -0.878 . . . . 0.0 110.938 178.268 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 413' ' ' LEU . 3.1 mt -60.91 -38.25 85.07 Favored 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -41.84 13.4 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.5 90.97 3.31 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.607 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -77.25 83.71 3.71 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.39 41.32 2.84 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.497 ' HE3' ' HB3' ' A' ' 418' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.248 0 O-C-N 121.363 -0.836 . . . . 0.0 111.456 -179.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 N--CA 1.503 2.224 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.404 ' HB3' ' HE2' ' A' ' 407' ' ' MET . . . -61.58 159.41 13.17 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.373 -1.74 . . . . 0.0 108.363 175.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 22.5 mm-40 -83.7 24.71 0.84 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.986 -1.071 . . . . 0.0 109.874 176.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -103.79 -64.23 1.12 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.413 -0.804 . . . . 0.0 109.216 -177.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.404 ' HE2' ' HB3' ' A' ' 404' ' ' ALA . 2.9 mpp? -66.23 -43.02 87.81 Favored 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.454 ' CB ' ' HG3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -60.75 -35.54 76.64 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.082 176.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 4.3 tp-100 -50.68 -24.22 3.21 Favored 'General case' 0 N--CA 1.516 2.864 0 O-C-N 121.533 -0.729 . . . . 0.0 111.764 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -88.58 -60.53 2.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 O-C-N 122.034 -0.416 . . . . 0.0 110.156 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.35 22.44 12.52 Favored 'General case' 0 N--CA 1.521 3.084 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.494 ' HD3' ' HA ' ' A' ' 409' ' ' GLN . 13.1 mtp180 -59.21 -22.89 61.74 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.895 -1.128 . . . . 0.0 110.841 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 413' ' ' LEU . 3.3 mt -57.68 -28.96 64.27 Favored 'General case' 0 N--CA 1.508 2.462 0 CA-C-O 120.813 0.339 . . . . 0.0 110.156 178.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 414' ' ' LEU . 1.2 mm? -98.75 8.28 45.13 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.699 0.399 . . . . 0.0 111.637 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.55 78.11 7.31 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.853 -1.154 . . . . 0.0 109.824 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -29.09 36.68 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 121.961 -0.462 . . . . 0.0 111.166 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -121.52 36.42 4.62 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.508 -0.745 . . . . 0.0 110.706 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt . . . . . 0 N--CA 1.508 2.439 0 O-C-N 121.284 -0.885 . . . . 0.0 110.751 179.075 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 . . . . . 0 N--CA 1.503 2.222 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.527 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -72.26 151.39 42.86 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.082 -1.872 . . . . 0.0 107.935 175.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -84.75 30.71 0.55 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.943 -1.098 . . . . 0.0 108.571 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -106.41 -65.7 1.06 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.137 -0.977 . . . . 0.0 111.883 -174.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.527 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 1.6 pmm? -59.68 -37.34 78.53 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.526 -178.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 25.9 t -69.7 -37.17 76.48 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.578 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 44.2 tt0 -53.09 -29.96 33.53 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 122.732 0.413 . . . . 0.0 111.527 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 6.7 mt -72.98 -29.01 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 122.26 -0.275 . . . . 0.0 111.207 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -94.72 -4.74 46.91 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.578 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -89.96 23.49 2.76 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.003 -1.061 . . . . 0.0 110.596 178.694 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 413' ' ' LEU . 5.1 mt -59.88 -21.76 61.45 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 121.134 -0.979 . . . . 0.0 110.543 178.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.67 -19.38 45.36 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 122.739 0.416 . . . . 0.0 110.612 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.55 89.2 2.72 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 119.222 0.919 . . . . 0.0 109.221 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.44 90.49 0.98 Allowed 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.2 OUTLIER 56.58 74.92 0.38 Allowed 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 122.258 1.028 . . . . 0.0 108.502 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.364 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 2.7 pm0 . . . . . 0 N--CA 1.5 2.062 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 403' ' ' GLN 0.254 . . -83.38 157.21 22.61 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 113.615 -1.63 . . . . 0.0 109.31 178.104 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.08 36.49 0.63 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 174.308 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.22 -58.78 1.81 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.0 108.86 -176.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -67.78 -29.44 68.64 Favored 'General case' 0 N--CA 1.512 2.664 0 CA-C-N 115.089 -0.959 . . . . 0.0 108.696 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.561 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 47.1 t -84.25 5.91 24.81 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.034 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 57.3 tt0 -100.99 -14.78 17.72 Favored 'General case' 0 N--CA 1.509 2.514 0 C-N-CA 123.538 0.735 . . . . 0.0 111.122 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.4 mt -88.1 -51.04 13.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 O-C-N 121.762 -0.586 . . . . 0.0 109.641 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.11 30.82 2.04 Favored 'General case' 0 N--CA 1.511 2.58 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.825 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -60.97 -29.36 69.62 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.101 -0.999 . . . . 0.0 109.367 178.072 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.86 -37.68 71.64 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-O 121.58 0.705 . . . . 0.0 109.27 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.57 -34.57 15.45 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.027 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.4 t -80.25 58.52 3.08 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.619 -0.676 . . . . 0.0 111.03 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.72 -17.75 57.28 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.794 -0.567 . . . . 0.0 111.319 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.12 38.41 2.55 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.502 2.157 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 . . . . . 0 N--CA 1.503 2.22 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.469 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -69.91 162.82 27.25 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.245 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.9 OUTLIER -82.59 23.6 0.77 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.889 -1.132 . . . . 0.0 108.795 174.757 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.98 -70.07 0.81 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.979 -1.075 . . . . 0.0 111.509 -175.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 7.2 mtm -58.35 -42.5 87.03 Favored 'General case' 0 N--CA 1.514 2.753 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.201 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 32.1 t -66.01 -38.42 88.4 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.658 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 18.8 tt0 -52.31 -29.14 21.96 Favored 'General case' 0 N--CA 1.513 2.694 0 C-N-CA 122.78 0.432 . . . . 0.0 111.925 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.28 -26.07 22.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 122.244 -0.285 . . . . 0.0 110.608 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . 0.48 ' HD3' ' N ' ' A' ' 411' ' ' LYS . 0.0 OUTLIER -96.55 -21.42 17.69 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 122.69 0.396 . . . . 0.0 111.99 -179.265 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.658 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -85.93 18.84 2.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.459 -0.775 . . . . 0.0 112.009 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 6.0 mt -55.04 -35.81 64.86 Favored 'General case' 0 N--CA 1.522 3.138 0 O-C-N 121.342 -0.849 . . . . 0.0 109.953 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.47 -9.87 38.64 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 123.294 0.638 . . . . 0.0 112.372 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 67.3 m -71.96 85.14 0.98 Allowed 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 119.236 0.925 . . . . 0.0 109.522 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.26 -48.89 71.68 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.746 -0.596 . . . . 0.0 109.697 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -139.39 75.1 1.5 Allowed 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.519 0.676 . . . . 0.0 109.353 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.504 2.268 0 O-C-N 121.654 -0.654 . . . . 0.0 110.542 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 N--CA 1.504 2.236 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.636 ' HB3' ' HE2' ' A' ' 407' ' ' MET . . . -68.39 168.67 12.14 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.424 -1.717 . . . . 0.0 108.583 176.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.25 13.04 3.75 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.334 -0.854 . . . . 0.0 109.537 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -104.21 -60.13 1.63 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.159 -0.963 . . . . 0.0 110.873 -175.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.636 ' HE2' ' HB3' ' A' ' 404' ' ' ALA . 2.7 mpp? -67.15 -36.35 81.64 Favored 'General case' 0 N--CA 1.509 2.49 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -4.27 23.49 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.788 176.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -96.68 -28.72 14.19 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.842 -0.537 . . . . 0.0 109.898 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 2.4 mt -94.79 -50.66 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.6 27.94 2.83 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.035 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -26.14 60.77 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.164 -0.96 . . . . 0.0 110.331 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.18 -37.66 69.9 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-O 121.577 0.704 . . . . 0.0 109.429 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.91 -30.32 12.44 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.028 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.58 -55.34 4.72 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.475 -0.765 . . . . 0.0 112.567 -177.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.54 -45.46 11.76 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.984 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.34 69.12 10.44 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.411 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.501 2.103 0 O-C-N 121.58 -0.7 . . . . 0.0 110.647 -178.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 N--CA 1.505 2.302 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.273 . . -53.2 160.64 1.04 Allowed 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.448 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.5 32.61 0.57 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -95.64 -46.94 6.42 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.149 -0.97 . . . . 0.0 109.051 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.453 ' HE3' ' N ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -67.88 -29.83 69.04 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 175.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.546 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 20.4 t -74.63 -9.12 58.26 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 122.693 0.397 . . . . 0.0 110.303 176.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -109.0 6.75 25.43 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.4 mt -77.67 -114.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.454 -0.779 . . . . 0.0 110.121 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.42 45.13 0.37 Allowed 'General case' 0 N--CA 1.524 3.273 0 CA-C-N 119.675 1.125 . . . . 0.0 112.401 -179.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.546 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -94.96 -10.15 31.89 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.178 -0.951 . . . . 0.0 111.908 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 413' ' ' LEU . 3.1 mt -66.15 -46.07 78.72 Favored 'General case' 0 N--CA 1.508 2.474 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -36.77 76.85 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.975 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.22 164.72 6.62 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.832 -0.542 . . . . 0.0 110.746 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.05 -74.47 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.558 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.547 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.8 89.02 0.08 Allowed 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 122.202 1.001 . . . . 0.0 108.421 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp . . . . . 0 N--CA 1.494 1.752 0 O-C-N 121.774 -0.579 . . . . 0.0 111.025 -177.794 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 . . . . . 0 N--CA 1.506 2.35 0 N-CA-C 105.872 -1.899 . . . . 0.0 105.872 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -61.76 158.99 14.45 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 113.262 -1.79 . . . . 0.0 108.711 176.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.5 mt-10 -83.84 28.6 0.58 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.008 -1.057 . . . . 0.0 108.843 175.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -104.99 -66.1 1.0 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.073 -1.017 . . . . 0.0 109.833 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 4.8 mtm -65.56 -31.59 72.73 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.721 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.499 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 7.5 t -87.5 13.03 10.87 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 1.8 tt0 -100.91 -30.08 11.85 Favored 'General case' 0 N--CA 1.511 2.595 0 C-N-CA 123.384 0.674 . . . . 0.0 110.824 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.7 mt -80.18 -56.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -95.86 36.28 1.31 Allowed 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.702 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.502 ' NE ' ' HA ' ' A' ' 409' ' ' GLN . 6.7 mtp180 -61.73 -29.84 70.38 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.73 -1.232 . . . . 0.0 108.888 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.6 mt -54.12 -34.37 60.12 Favored 'General case' 0 N--CA 1.514 2.751 0 CA-C-O 121.701 0.762 . . . . 0.0 109.561 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 414' ' ' LEU . 0.5 OUTLIER -93.86 -32.37 13.96 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.538 177.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . 0.501 ' HB3' ' HA ' ' A' ' 412' ' ' ARG . 8.6 t -77.49 -120.08 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 122.008 -0.432 . . . . 0.0 110.951 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -69.63 52.35 0.11 Allowed 'General case' 0 N--CA 1.514 2.752 0 O-C-N 121.274 -0.891 . . . . 0.0 112.568 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -116.05 75.87 0.98 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.602 -1.311 . . . . 0.0 108.515 178.351 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.489 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.506 2.347 0 O-C-N 121.746 -0.596 . . . . 0.0 110.848 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 N--CA 1.501 2.11 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.439 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -66.99 158.51 30.74 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 113.336 -1.756 . . . . 0.0 108.995 175.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.43 27.9 0.57 Allowed 'General case' 0 N--CA 1.509 2.484 0 O-C-N 121.176 -0.952 . . . . 0.0 108.452 173.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -53.19 2.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.165 -0.959 . . . . 0.0 110.726 -176.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.439 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 2.8 mpp? -65.45 -39.73 92.38 Favored 'General case' 0 N--CA 1.513 2.689 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.545 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 8.4 t -70.23 -2.65 13.9 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.766 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -110.27 1.47 18.61 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.0 mt -75.45 -105.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.673 -0.642 . . . . 0.0 111.264 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 43.59 0.65 Allowed 'General case' 0 N--CA 1.521 3.12 0 O-C-N 121.054 -1.028 . . . . 0.0 111.54 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.545 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -99.68 -5.84 28.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.034 -1.042 . . . . 0.0 112.85 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 413' ' ' LEU . 5.4 mt -58.18 -39.73 79.64 Favored 'General case' 0 N--CA 1.513 2.681 0 CA-C-O 121.274 0.559 . . . . 0.0 110.231 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -22.9 64.77 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 122.985 0.514 . . . . 0.0 111.99 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 7.4 t -85.94 -178.84 6.67 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.514 -0.741 . . . . 0.0 110.933 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.85 69.03 4.95 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.427 -0.796 . . . . 0.0 109.908 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 417' ' ' LYS . 13.2 ttpp -90.64 60.15 4.45 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.274 -0.891 . . . . 0.0 108.855 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.184 0 O-C-N 121.621 -0.674 . . . . 0.0 109.485 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 N--CA 1.505 2.282 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -77.19 153.1 34.44 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 113.562 -1.654 . . . . 0.0 108.14 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 10.1 mm-40 -84.23 34.11 0.51 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.96 -1.088 . . . . 0.0 108.257 174.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -100.75 -55.39 2.59 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.991 -1.068 . . . . 0.0 108.581 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -65.61 -27.85 68.7 Favored 'General case' 0 N--CA 1.509 2.512 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 175.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.492 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 22.7 t -85.35 -0.0 53.44 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.731 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.475 ' HA ' ' HG2' ' A' ' 412' ' ' ARG . 5.3 tp60 -98.94 -24.38 14.97 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.684 -0.635 . . . . 0.0 110.786 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.17 -47.81 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.52 28.74 2.84 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 408' ' ' SER . 0.1 OUTLIER -56.82 -27.13 59.59 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.199 -0.938 . . . . 0.0 110.484 178.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.5 mt -55.47 -41.01 72.35 Favored 'General case' 0 N--CA 1.515 2.786 0 CA-C-O 121.677 0.751 . . . . 0.0 109.437 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.09 -30.38 13.07 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.018 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 1.1 t -70.72 138.47 50.58 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.524 -0.735 . . . . 0.0 111.642 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -80.56 78.89 7.25 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -97.23 62.75 1.8 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 121.567 0.699 . . . . 0.0 110.662 -178.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? . . . . . 0 N--CA 1.504 2.233 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -67.85 146.11 53.99 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 113.032 -1.895 . . . . 0.0 108.507 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.06 40.4 0.82 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 174.736 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -103.7 -67.27 0.9 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.834 -1.166 . . . . 0.0 109.063 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -61.61 -33.72 74.4 Favored 'General case' 0 N--CA 1.513 2.677 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 28.1 t -76.25 -3.64 37.62 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.439 176.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -100.03 -35.57 9.66 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.671 -0.643 . . . . 0.0 110.294 179.59 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.58 -42.23 14.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.228 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -93.96 5.6 51.15 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -22.21 60.83 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.501 -0.749 . . . . 0.0 110.751 177.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.1 mt -57.46 -28.87 63.75 Favored 'General case' 0 N--CA 1.51 2.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.01 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -20.71 59.64 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.702 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 5.2 t -94.34 106.6 18.58 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.428 -0.795 . . . . 0.0 109.548 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.32 77.81 5.84 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -106.36 36.27 2.66 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.92 -0.487 . . . . 0.0 111.054 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt . . . . . 0 N--CA 1.501 2.076 0 O-C-N 121.423 -0.798 . . . . 0.0 109.747 179.324 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? . . . . . 0 N--CA 1.504 2.263 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.55 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -68.18 157.61 35.02 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.204 -1.816 . . . . 0.0 109.017 176.476 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 10.7 tp10 -84.35 29.56 0.58 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.202 -0.936 . . . . 0.0 108.492 174.805 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -100.98 -55.19 2.62 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.316 -0.865 . . . . 0.0 109.35 -177.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.55 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 5.2 mtm -65.78 -33.27 75.48 Favored 'General case' 0 N--CA 1.513 2.725 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 177.826 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.42 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 29.2 t -72.17 -9.55 58.59 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.222 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 6.3 tt0 -111.48 10.4 21.35 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -176.758 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.1 mt -73.31 -110.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.449 -0.782 . . . . 0.0 110.76 -177.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -81.93 30.84 0.37 Allowed 'General case' 0 N--CA 1.522 3.162 0 O-C-N 120.565 -1.335 . . . . 0.0 111.776 -179.466 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.44 ' N ' ' HD2' ' A' ' 412' ' ' ARG . 0.0 OUTLIER -68.56 -24.35 64.61 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.365 -0.835 . . . . 0.0 110.655 178.321 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.6 OUTLIER -66.53 -30.51 70.84 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.922 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.25 -51.4 5.18 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.835 0.454 . . . . 0.0 110.392 -179.416 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 2.1 m -84.48 71.75 10.7 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.414 0.626 . . . . 0.0 109.928 -178.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.75 -41.52 64.11 Favored 'General case' 0 N--CA 1.513 2.692 0 O-C-N 122.071 -0.393 . . . . 0.0 110.765 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -124.76 41.5 3.49 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.243 0.544 . . . . 0.0 110.464 -179.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.096 0 O-C-N 121.494 -0.754 . . . . 0.0 109.125 179.451 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 . . . . . 0 N--CA 1.505 2.281 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.679 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -62.37 159.81 14.59 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 113.414 -1.721 . . . . 0.0 108.396 175.763 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 3.6 mt-10 -83.37 25.71 0.71 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.844 -1.16 . . . . 0.0 108.96 174.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . 0.528 ' HA ' ' NE ' ' A' ' 406' ' ' ARG . 7.9 tpm_? -107.56 -69.25 0.85 Allowed 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.897 -1.127 . . . . 0.0 111.847 -174.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.679 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 1.0 OUTLIER -66.24 -31.79 72.83 Favored 'General case' 0 N--CA 1.513 2.7 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.847 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.576 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -74.04 -4.13 33.56 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.035 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.6 OUTLIER -109.47 0.46 19.31 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.943 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.9 mt -74.45 -107.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.735 -0.603 . . . . 0.0 111.195 -177.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -80.91 45.81 0.85 Allowed 'General case' 0 N--CA 1.519 3.011 0 O-C-N 120.96 -1.087 . . . . 0.0 111.12 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.576 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.43 8.16 45.23 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.188 -0.945 . . . . 0.0 112.176 -179.6 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.3 OUTLIER -89.6 9.26 27.48 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.768 -0.583 . . . . 0.0 111.0 179.056 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.4 -53.04 3.59 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.5 -0.75 . . . . 0.0 109.316 -179.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 7.5 t -95.9 -174.81 3.23 Favored 'General case' 0 N--CA 1.503 2.183 0 CA-C-O 121.191 0.52 . . . . 0.0 110.447 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.04 39.25 2.19 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.543 -0.723 . . . . 0.0 110.762 -179.711 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.5 74.52 0.89 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.214 -0.929 . . . . 0.0 109.066 179.61 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp . . . . . 0 N--CA 1.506 2.368 0 CA-C-O 121.97 0.891 . . . . 0.0 110.863 -179.495 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 N--CA 1.503 2.184 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.267 . . -52.4 161.4 0.67 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 112.88 -1.964 . . . . 0.0 112.005 177.39 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -85.14 32.18 0.55 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 173.198 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.28 -47.58 5.39 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.134 -0.979 . . . . 0.0 109.514 -177.795 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.402 ' HE3' ' N ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -67.07 -30.21 70.2 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 176.63 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.56 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 8.7 t -76.41 -2.42 31.85 Favored 'General case' 0 N--CA 1.501 2.112 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 176.817 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -109.29 0.32 19.51 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.3 mt -71.99 -107.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.474 -0.766 . . . . 0.0 111.083 -178.079 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -81.53 45.47 0.88 Allowed 'General case' 0 N--CA 1.52 3.027 0 O-C-N 120.921 -1.112 . . . . 0.0 111.022 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.56 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.95 7.78 45.67 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.265 -0.897 . . . . 0.0 112.242 -179.327 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.8 OUTLIER -89.02 12.02 16.69 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.726 -0.609 . . . . 0.0 110.532 178.932 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.74 -52.76 3.63 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.445 -0.784 . . . . 0.0 109.477 -179.863 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 6.1 t -94.48 173.91 7.39 Favored 'General case' 0 N--CA 1.506 2.359 0 CA-C-O 120.821 0.343 . . . . 0.0 110.988 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.27 -48.15 0.49 Allowed 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 123.52 0.728 . . . . 0.0 111.971 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.74 -46.35 1.72 Allowed 'General case' 0 N--CA 1.5 2.065 0 CA-C-N 119.191 0.905 . . . . 0.0 110.629 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp . . . . . 0 N--CA 1.504 2.227 0 C-N-CA 122.838 0.455 . . . . 0.0 110.642 179.806 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 . . . . . 0 N--CA 1.501 2.087 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -66.2 158.76 27.96 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 113.15 -1.841 . . . . 0.0 109.251 176.177 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 12.0 tp10 -84.46 29.99 0.57 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.097 -1.002 . . . . 0.0 108.68 175.092 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -103.31 -53.32 2.83 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.782 -1.199 . . . . 0.0 110.112 -176.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -66.49 -40.19 89.15 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 176.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.566 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 33.1 t -65.67 -10.74 38.95 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.261 176.181 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 5.7 tt0 -109.2 7.0 25.22 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -176.799 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.3 mt -74.36 -100.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.289 -0.882 . . . . 0.0 110.415 -178.617 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -84.18 38.81 0.68 Allowed 'General case' 0 N--CA 1.517 2.915 0 O-C-N 120.953 -1.092 . . . . 0.0 110.388 179.267 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.566 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.1 OUTLIER -100.83 17.36 22.31 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.246 -0.909 . . . . 0.0 112.49 -178.112 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 413' ' ' LEU . 2.9 mt -82.01 15.82 2.16 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.421 -0.799 . . . . 0.0 110.922 179.184 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.407 ' HA ' HD13 ' A' ' 414' ' ' LEU . 2.6 mm? -96.16 -52.08 4.16 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 121.271 -0.893 . . . . 0.0 109.097 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.2 t -91.6 -178.1 4.98 Favored 'General case' 0 N--CA 1.505 2.299 0 CA-C-O 121.399 0.619 . . . . 0.0 110.796 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.04 82.85 1.81 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.665 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -105.98 50.47 0.78 Allowed 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.62 -0.675 . . . . 0.0 109.704 179.75 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp . . . . . 0 N--CA 1.503 2.191 0 O-C-N 121.211 -0.93 . . . . 0.0 110.24 -179.746 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? . . . . . 0 N--CA 1.504 2.264 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.472 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -65.44 168.55 7.1 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.215 175.22 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -82.5 15.22 2.63 Favored 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 118.928 -1.109 . . . . 0.0 109.71 175.545 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . 0.413 ' NH2' ' HB2' ' A' ' 406' ' ' ARG . 0.0 OUTLIER -104.2 -59.83 1.67 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.364 -0.835 . . . . 0.0 110.812 -176.833 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 5.7 mtm -66.08 -32.04 73.27 Favored 'General case' 0 N--CA 1.514 2.748 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.345 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.547 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -74.09 -4.19 34.06 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.859 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 33.9 tt0 -112.32 4.05 17.43 Favored 'General case' 0 N--CA 1.502 2.16 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -176.599 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.2 mt -73.76 -109.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.187 -0.945 . . . . 0.0 111.861 -176.679 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 29.46 0.37 Allowed 'General case' 0 N--CA 1.524 3.271 0 O-C-N 120.752 -1.217 . . . . 0.0 111.191 -178.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.547 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -64.29 -19.77 65.64 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.002 -1.061 . . . . 0.0 112.065 179.321 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.08 -38.97 92.51 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' ' 414' ' ' LEU . 3.7 mm? -99.9 -47.77 4.91 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.015 -179.415 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 2.4 m -66.38 -178.67 0.69 Allowed 'General case' 0 N--CA 1.51 2.531 0 O-C-N 122.121 -0.362 . . . . 0.0 111.603 -178.755 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 4.51 -93.67 0.0 OUTLIER 'General case' 0 N--CA 1.533 3.723 0 C-N-CA 125.095 1.358 . . . . 0.0 113.661 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.31 78.85 0.25 Allowed 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 123.146 1.45 . . . . 0.0 108.142 178.686 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.444 ' HB3' ' NZ ' ' A' ' 418' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.406 -177.231 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -68.44 158.97 32.55 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 113.612 -1.631 . . . . 0.0 109.469 176.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.3 mt-10 -85.44 32.92 0.56 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.491 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -66.86 0.96 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.046 -1.034 . . . . 0.0 111.087 -175.404 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.491 ' H ' ' HE2' ' A' ' 407' ' ' MET . 5.8 mtm -57.16 -44.48 83.52 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.691 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -62.62 -42.08 99.38 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.02 177.589 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 2.4 tp60 -51.45 -24.74 5.35 Favored 'General case' 0 N--CA 1.511 2.613 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 178.27 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 6.3 mt -81.66 -65.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 121.821 -0.55 . . . . 0.0 110.401 179.504 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.34 19.66 18.37 Favored 'General case' 0 N--CA 1.518 2.953 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.114 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 408' ' ' SER . 27.1 mtt180 -60.39 -21.39 62.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.839 -1.163 . . . . 0.0 110.902 178.187 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.8 OUTLIER -66.93 -29.66 69.59 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 120.96 0.409 . . . . 0.0 110.346 179.1 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.92 -45.31 9.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.54 75.64 10.13 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.8 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 417' ' ' LYS . 0.8 OUTLIER -62.79 -31.59 72.6 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 121.836 -0.54 . . . . 0.0 110.956 -179.656 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . 0.444 ' HB3' ' HE3' ' A' ' 417' ' ' LYS . 11.6 ttpp -121.17 42.07 3.16 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.63 -0.669 . . . . 0.0 109.661 179.781 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.444 0 O-C-N 121.24 -0.912 . . . . 0.0 110.509 -179.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 . . . . . 0 N--CA 1.504 2.229 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.486 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -65.9 160.72 22.76 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.397 176.732 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.03 29.09 0.57 Allowed 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.36 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.08 -62.01 1.4 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.99 -1.069 . . . . 0.0 110.884 -175.676 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.486 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 6.5 mtm -59.95 -38.8 83.49 Favored 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.862 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 9.2 t -79.7 4.52 15.95 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 177.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 412' ' ' ARG . 0.9 OUTLIER -102.54 -43.67 5.57 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.647 0.737 . . . . 0.0 109.709 -179.723 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.4 mt -89.51 -45.46 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.057 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -95.55 34.66 1.44 Allowed 'General case' 0 N--CA 1.509 2.515 0 CA-C-O 120.761 0.315 . . . . 0.0 111.3 -179.288 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -90.19 -7.4 53.7 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.024 -1.047 . . . . 0.0 111.625 178.444 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 413' ' ' LEU . 4.3 mt -59.71 -28.66 67.52 Favored 'General case' 0 N--CA 1.514 2.763 0 CA-C-N 118.302 0.501 . . . . 0.0 109.947 178.636 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.05 -15.23 62.87 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 119.449 -0.31 . . . . 0.0 110.74 178.407 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 67.8 m -57.64 126.93 29.51 Favored 'General case' 0 N--CA 1.503 2.191 0 CA-C-N 118.886 0.766 . . . . 0.0 109.705 179.389 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.77 -54.94 23.38 Favored 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -127.45 87.89 2.7 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.116 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.507 2.399 0 O-C-N 121.544 -0.723 . . . . 0.0 111.149 -178.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 . . . . . 0 N--CA 1.505 2.284 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.473 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -63.68 156.72 26.05 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.4 -1.727 . . . . 0.0 108.575 175.635 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.75 30.09 0.51 Allowed 'General case' 0 N--CA 1.507 2.386 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 174.362 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.8 -59.06 1.8 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.92 -1.112 . . . . 0.0 110.789 -176.213 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 2.1 mpp? -62.39 -33.55 74.98 Favored 'General case' 0 N--CA 1.519 3.024 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.193 179.203 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.515 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 31.2 t -81.06 -3.99 53.74 Favored 'General case' 0 N--CA 1.499 1.999 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.369 177.768 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.524 ' HG2' ' HD2' ' A' ' 412' ' ' ARG . 0.4 OUTLIER -100.67 -8.59 22.71 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 123.317 0.647 . . . . 0.0 111.9 179.824 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . 0.435 ' HB ' ' HD3' ' A' ' 411' ' ' LYS . 2.1 mt -95.12 -52.8 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.745 -0.597 . . . . 0.0 109.683 -179.396 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . 0.435 ' HD3' ' HB ' ' A' ' 410' ' ' ILE . 0.9 OUTLIER -93.35 35.06 1.11 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.139 179.084 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.524 ' HD2' ' HG2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -64.42 -27.21 68.84 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.353 -0.842 . . . . 0.0 108.95 177.417 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.28 -31.13 69.95 Favored 'General case' 0 N--CA 1.505 2.325 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 176.735 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -38.82 11.88 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.373 0.669 . . . . 0.0 110.428 179.521 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.11 -17.33 40.49 Favored 'General case' 0 N--CA 1.515 2.816 0 O-C-N 121.441 -0.787 . . . . 0.0 113.1 -178.686 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 36.83 49.76 0.79 Allowed 'General case' 0 N--CA 1.527 3.42 0 C-N-CA 124.385 1.074 . . . . 0.0 112.604 179.675 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 176.99 8.15 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.524 -0.735 . . . . 0.0 109.585 -178.725 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.507 2.391 0 O-C-N 121.753 -0.592 . . . . 0.0 111.812 178.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 . . . . . 0 N--CA 1.502 2.168 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.458 ' HB3' ' HE2' ' A' ' 407' ' ' MET . . . -65.29 168.39 7.05 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 113.639 -1.619 . . . . 0.0 109.188 176.881 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -83.11 19.92 1.34 Allowed 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.397 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 406' ' ' ARG . 2.3 tpp85 -109.05 -66.69 1.03 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.407 -0.808 . . . . 0.0 111.501 -173.811 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.458 ' HE2' ' HB3' ' A' ' 404' ' ' ALA . 8.0 mtm -64.43 -38.05 89.66 Favored 'General case' 0 N--CA 1.513 2.691 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.709 179.559 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.521 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 0.2 OUTLIER -65.92 -40.47 91.48 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.463 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.584 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 10.2 tt0 -53.07 -29.77 32.14 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.167 178.476 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -69.12 -27.46 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 122.147 -0.345 . . . . 0.0 111.042 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -94.83 -12.16 27.51 Favored 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.802 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.584 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.3 OUTLIER -95.69 17.54 14.77 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 118.895 0.77 . . . . 0.0 112.127 -179.463 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.86 -40.89 81.25 Favored 'General case' 0 N--CA 1.517 2.9 0 O-C-N 121.095 -1.003 . . . . 0.0 109.93 179.091 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 414' ' ' LEU . 2.2 pp -74.14 -6.72 49.34 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 1.6 m -71.8 100.41 2.37 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-N 119.723 1.147 . . . . 0.0 109.721 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -51.58 69.19 Favored 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.545 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . 0.518 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -144.14 73.74 1.39 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.834 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.341 0 O-C-N 121.862 -0.524 . . . . 0.0 109.891 -178.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 1.9 pm0 . . . . . 0 N--CA 1.501 2.094 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.41 ' N ' ' HG2' ' A' ' 403' ' ' GLN . . . -71.67 161.11 31.49 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 113.867 -1.515 . . . . 0.0 108.943 176.862 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.7 mm-40 -84.78 31.09 0.54 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 174.466 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.1 -63.6 1.27 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 111.094 -175.368 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -62.97 -36.98 85.3 Favored 'General case' 0 N--CA 1.512 2.63 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.705 -179.563 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.7 t -87.77 12.39 13.02 Favored 'General case' 0 C--O 1.203 -1.386 0 CA-C-O 119.146 -0.454 . . . . 0.0 109.997 178.189 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.586 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 4.4 tt0 -100.67 -51.19 3.65 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-O 121.945 0.878 . . . . 0.0 108.824 179.664 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.9 mt -65.58 -38.48 82.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.26 178.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . 0.526 ' HD2' ' N ' ' A' ' 411' ' ' LYS . 0.1 OUTLIER -98.47 26.13 5.77 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 122.215 -0.303 . . . . 0.0 111.081 -179.369 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.586 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 1.4 mtp85 -59.43 -22.06 60.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.119 -0.988 . . . . 0.0 111.374 178.752 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.2 mt -60.89 -38.92 87.36 Favored 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.016 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.35 -37.74 10.82 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.411 179.014 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.89 73.98 7.89 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 76.29 5.77 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.64 0.733 . . . . 0.0 109.147 -179.733 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . 0.446 ' HB3' ' HE3' ' A' ' 417' ' ' LYS . 11.9 ttpp -107.25 49.19 0.81 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.441 0.638 . . . . 0.0 109.3 179.914 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.187 0 O-C-N 121.081 -1.012 . . . . 0.0 110.121 -179.681 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 . . . . . 0 N--CA 1.505 2.279 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -57.7 163.92 2.32 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 113.488 -1.687 . . . . 0.0 109.752 176.111 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 7.9 mm-40 -83.44 27.45 0.6 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.024 -1.048 . . . . 0.0 108.648 175.039 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -107.81 -67.89 0.93 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.826 -1.171 . . . . 0.0 111.296 -175.536 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 5.8 mtm -64.82 -34.78 79.18 Favored 'General case' 0 N--CA 1.515 2.782 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.155 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.557 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.5 t -87.75 12.27 13.26 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.568 177.703 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 4.2 tp-100 -102.03 -30.13 11.37 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 123.674 0.79 . . . . 0.0 110.686 -179.88 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.8 mt -84.47 -52.17 12.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.409 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.06 29.17 2.51 Favored 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.714 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 408' ' ' SER . 4.3 mtp85 -56.94 -27.76 61.41 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.929 -1.107 . . . . 0.0 110.138 178.504 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.48 -42.54 70.83 Favored 'General case' 0 N--CA 1.515 2.797 0 CA-C-O 121.813 0.816 . . . . 0.0 109.594 178.301 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.51 -30.35 13.37 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.157 179.336 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.0 122.05 16.11 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.527 -0.733 . . . . 0.0 110.851 -178.817 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -113.18 23.56 13.19 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.976 -0.452 . . . . 0.0 110.593 179.193 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 52.42 1.82 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.014 -1.054 . . . . 0.0 108.986 -179.78 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp . . . . . 0 N--CA 1.499 1.997 0 O-C-N 121.435 -0.79 . . . . 0.0 110.007 -179.291 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 N--CA 1.505 2.32 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.41 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -66.58 164.7 16.12 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 113.966 -1.47 . . . . 0.0 108.079 175.577 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 405' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 5.6 mm-40 -82.73 21.09 1.04 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.847 -1.158 . . . . 0.0 109.04 174.819 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -103.44 -64.16 1.11 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.183 -0.948 . . . . 0.0 109.165 -177.445 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.41 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 7.1 mtm -66.27 -34.75 78.72 Favored 'General case' 0 N--CA 1.514 2.744 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.549 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 408' ' ' SER . . . . . 0.59 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.2 OUTLIER -71.43 -3.49 21.23 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 175.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 409' ' ' GLN . . . . . 0.517 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 1.3 tp-100 -108.5 2.59 22.35 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -177.489 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.5 mt -73.25 -102.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.548 -0.72 . . . . 0.0 110.591 -178.056 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -83.39 40.96 0.75 Allowed 'General case' 0 N--CA 1.522 3.137 0 O-C-N 120.952 -1.092 . . . . 0.0 110.716 179.841 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 412' ' ' ARG . . . . . 0.59 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -100.9 12.36 37.77 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.22 -0.925 . . . . 0.0 113.103 -178.047 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 413' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 413' ' ' LEU . 2.0 mt -84.31 14.64 4.19 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.519 -0.738 . . . . 0.0 110.803 178.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 414' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 414' ' ' LEU . 1.3 mm? -97.54 -51.83 3.99 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 121.409 -0.807 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.03 177.78 5.87 Favored 'General case' 0 N--CA 1.508 2.447 0 CA-C-O 121.628 0.728 . . . . 0.0 110.679 -179.926 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -74.6 70.75 1.84 Allowed 'General case' 0 N--CA 1.507 2.424 0 CA-C-O 121.829 0.823 . . . . 0.0 110.603 -179.453 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 68.86 6.6 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.895 -1.128 . . . . 0.0 108.203 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.875 0 O-C-N 121.741 -0.6 . . . . 0.0 110.538 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.493 ' H1 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.222 -0.393 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -80.64 -48.94 11.9 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.532 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -66.83 156.47 35.53 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 113.152 -1.84 . . . . 0.0 109.34 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.33 34.2 0.57 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 175.221 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.86 -70.01 0.81 Allowed 'General case' 0 N--CA 1.485 1.323 0 O-C-N 120.939 -1.101 . . . . 0.0 111.704 -174.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.532 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 0.5 OUTLIER -61.67 -28.35 69.33 Favored 'General case' 0 N--CA 1.516 2.875 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.155 -179.433 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 1.9 t -79.46 -34.31 41.62 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 177.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.542 ' HA ' ' CG ' ' A' ' 412' ' ' ARG . 17.6 tt0 -54.21 -43.15 70.53 Favored 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 123.171 0.588 . . . . 0.0 111.024 178.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.8 mt -60.53 -26.92 39.04 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.01 -4.88 42.36 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.542 ' CG ' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -91.87 22.98 3.88 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-N 119.477 1.035 . . . . 0.0 110.849 178.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 413' ' ' LEU . 4.1 mt -60.08 -23.47 63.82 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.194 -0.941 . . . . 0.0 110.38 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.7 -18.11 56.94 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.74 0.416 . . . . 0.0 110.748 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.73 154.57 36.35 Favored 'General case' 0 N--CA 1.507 2.396 0 CA-C-N 119.142 0.883 . . . . 0.0 110.54 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.56 -72.24 0.06 Allowed 'General case' 0 N--CA 1.515 2.787 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.39 91.19 2.36 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 119.389 0.995 . . . . 0.0 110.362 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.414 ' HE3' ' HB2' ' A' ' 418' ' ' LYS . 0.0 OUTLIER -139.17 94.22 2.78 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.566 -0.709 . . . . 0.0 110.414 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.1 p 59.53 -172.17 0.12 Allowed 'General case' 0 N--CA 1.514 2.765 0 CA-C-O 120.749 0.309 . . . . 0.0 110.421 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.231 0 O-C-N 118.538 -2.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.898 ' H3 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.219 -0.515 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -81.89 -46.15 14.48 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.261 . . -57.75 164.14 2.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 113.044 -1.889 . . . . 0.0 112.005 177.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.03 31.99 0.54 Allowed 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 173.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.435 ' O ' HG13 ' A' ' 410' ' ' ILE . 0.0 OUTLIER -98.38 -51.01 4.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.873 -1.142 . . . . 0.0 108.828 -177.401 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.898 ' SD ' ' H3 ' ' A' ' 402' ' ' ACE . 0.0 OUTLIER -63.24 -27.68 69.51 Favored 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 176.165 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 1.6 t -68.07 -49.03 63.86 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.646 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 2.6 tt0 -52.65 -48.66 66.3 Favored 'General case' 0 N--CA 1.51 2.555 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.771 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 406' ' ' ARG . 8.5 mt -66.51 -41.71 88.96 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.867 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.466 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -96.08 27.75 3.5 Favored 'General case' 0 N--CA 1.508 2.434 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.646 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -66.39 -16.64 64.24 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.861 -1.149 . . . . 0.0 111.507 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 413' ' ' LEU . 3.6 mt -60.42 -31.33 70.3 Favored 'General case' 0 N--CA 1.51 2.555 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 175.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -29.09 21.36 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.428 177.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 42.9 m -57.69 107.42 0.45 Allowed 'General case' 0 N--CA 1.505 2.322 0 CA-C-N 118.98 0.809 . . . . 0.0 109.906 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.85 88.91 5.24 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.576 -0.703 . . . . 0.0 109.354 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.94 67.28 9.75 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.5 118.66 6.33 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.598 0.713 . . . . 0.0 110.441 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.557 ' HG1' ' N ' ' A' ' 420' ' ' NH2 . 1.2 t -43.26 157.57 0.04 OUTLIER 'General case' 0 N--CA 1.518 2.929 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.058 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . 0.557 ' N ' ' HG1' ' A' ' 419' ' ' THR . . . . . . . . 0 C--N 1.301 -1.523 0 O-C-N 119.04 -2.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.613 ' H1 ' ' NE ' ' A' ' 406' ' ' ARG . . . . . . . . 0 C--O 1.219 -0.501 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -86.98 -56.52 3.34 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.271 . . -79.55 154.5 28.74 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-N 111.878 -2.419 . . . . 0.0 107.446 175.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 407' ' ' MET . 1.6 pm0 -66.73 118.62 10.53 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 101.737 -3.431 . . . . 0.0 101.737 171.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.613 ' NE ' ' H1 ' ' A' ' 402' ' ' ACE . 0.0 OUTLIER -57.06 68.59 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.34 0 CA-C-O 121.474 0.654 . . . . 0.0 112.758 -175.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -90.71 -33.59 15.72 Favored 'General case' 0 N--CA 1.515 2.821 0 O-C-N 121.346 -0.846 . . . . 0.0 109.978 178.61 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 33.4 t -85.79 -27.46 25.15 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.499 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 1.6 tp-100 -54.75 -40.25 69.14 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 123.395 0.678 . . . . 0.0 110.539 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.8 mt -72.18 -48.8 47.26 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.906 0 CA-C-O 120.967 0.413 . . . . 0.0 109.924 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 34.76 1.49 Allowed 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.205 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.519 ' HA ' ' HB2' ' A' ' 415' ' ' SER . 8.8 mtm105 -63.58 -27.35 69.19 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 120.967 -1.083 . . . . 0.0 109.546 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 413' ' ' LEU . 2.6 mt -57.93 -33.6 68.98 Favored 'General case' 0 N--CA 1.509 2.521 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.47 -44.93 10.35 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.179 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . 0.519 ' HB2' ' HA ' ' A' ' 412' ' ' ARG . 2.9 m -55.84 -35.43 66.4 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.893 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.84 -31.24 48.67 Favored 'General case' 0 N--CA 1.508 2.468 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.768 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 33.89 3.6 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.444 -0.785 . . . . 0.0 110.105 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.76 ' HD2' HG23 ' A' ' 419' ' ' THR . 0.4 OUTLIER -126.97 97.61 5.02 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.167 -0.958 . . . . 0.0 109.918 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.76 HG23 ' HD2' ' A' ' 418' ' ' LYS . 11.5 p 50.91 -155.64 0.13 Allowed 'General case' 0 N--CA 1.512 2.657 0 O-C-N 122.158 -0.339 . . . . 0.0 111.168 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.277 0 O-C-N 118.874 -2.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.443 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -80.69 -36.89 31.71 Favored 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.288 . . -64.37 161.6 16.6 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.551 -1.658 . . . . 0.0 111.371 177.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.78 33.63 0.59 Allowed 'General case' 0 CA--C 1.568 1.647 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.75 -50.69 5.77 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.062 -1.024 . . . . 0.0 108.285 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -65.5 -27.33 68.4 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.413 176.268 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.486 ' O ' ' HG3' ' A' ' 412' ' ' ARG . 1.2 t -76.28 -42.61 44.91 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.43 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 11.6 tt0 -51.13 -29.77 14.49 Favored 'General case' 0 N--CA 1.516 2.87 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -71.86 -46.04 62.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.474 ' C ' ' HD3' ' A' ' 411' ' ' LYS . 0.1 OUTLIER -96.54 12.22 32.34 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 122.872 0.469 . . . . 0.0 111.926 -179.082 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -70.5 2.21 4.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.237 -1.539 . . . . 0.0 113.044 -179.587 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 413' ' ' LEU . 5.7 mt -57.13 -41.55 79.27 Favored 'General case' 0 N--CA 1.515 2.795 0 CA-C-N 119.102 0.864 . . . . 0.0 109.711 178.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.43 -21.46 32.94 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.253 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.9 m -70.87 -172.73 0.69 Allowed 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.422 -0.798 . . . . 0.0 110.441 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -47.2 -45.77 23.45 Favored 'General case' 0 N--CA 1.52 3.033 0 O-C-N 121.192 -0.942 . . . . 0.0 111.186 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 417' ' ' LYS . 0.3 OUTLIER 35.5 81.56 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.372 0 C-N-CA 124.785 1.234 . . . . 0.0 109.878 177.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -161.98 -164.45 1.08 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.002 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 16.7 p -104.01 129.54 51.62 Favored 'General case' 0 N--CA 1.5 2.054 0 CA-C-O 121.094 0.473 . . . . 0.0 110.378 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.446 0 O-C-N 119.136 -2.228 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.481 ' H3 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.218 -0.586 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.85 -46.29 15.53 Favored 'General case' 0 N--CA 1.506 2.348 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.28 . . -51.98 162.2 0.49 Allowed 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.033 -1.894 . . . . 0.0 111.756 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -85.12 32.57 0.54 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.446 ' HA ' ' HD2' ' A' ' 406' ' ' ARG . 6.7 tpt85 -97.03 -46.8 6.04 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.928 -1.107 . . . . 0.0 109.322 -177.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.481 ' SD ' ' H3 ' ' A' ' 402' ' ' ACE . 0.0 OUTLIER -65.88 -29.15 69.55 Favored 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.725 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.522 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 21.8 t -76.81 -11.17 59.79 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.396 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -109.18 7.62 25.54 Favored 'General case' 0 N--CA 1.503 2.199 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.9 mt -76.26 -105.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.367 -0.833 . . . . 0.0 110.643 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.51 44.54 0.9 Allowed 'General case' 0 N--CA 1.518 2.97 0 O-C-N 120.997 -1.064 . . . . 0.0 111.029 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.522 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -97.32 3.84 51.04 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.248 -0.908 . . . . 0.0 112.596 -179.453 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.8 OUTLIER -87.58 -46.34 9.64 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -38.18 65.77 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.902 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.33 153.67 37.69 Favored 'General case' 0 N--CA 1.506 2.373 0 CA-C-O 121.369 0.604 . . . . 0.0 110.809 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.73 28.68 8.58 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.956 -0.465 . . . . 0.0 110.657 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.469 ' HE2' ' HB2' ' A' ' 417' ' ' LYS . 1.3 mppt? -101.9 58.26 0.83 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 121.259 -0.901 . . . . 0.0 109.666 -178.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.731 ' HE2' HG23 ' A' ' 419' ' ' THR . 0.0 OUTLIER -170.5 93.57 0.21 Allowed 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.567 -0.708 . . . . 0.0 109.848 -179.682 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.731 HG23 ' HE2' ' A' ' 418' ' ' LYS . 7.5 p 51.18 51.85 16.1 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-O 121.02 0.438 . . . . 0.0 110.848 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 118.743 -2.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.756 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.222 -0.378 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -80.72 -47.84 13.41 Favored 'General case' 0 N--CA 1.504 2.249 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.53 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -61.31 166.87 3.54 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.393 -1.73 . . . . 0.0 109.299 176.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.4 tp10 -84.13 21.01 1.44 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.16 -0.963 . . . . 0.0 109.448 175.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -105.55 -66.02 1.01 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.387 -0.821 . . . . 0.0 109.977 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.756 ' HB2' ' H1 ' ' A' ' 402' ' ' ACE . 3.7 mtm -66.34 -26.37 67.26 Favored 'General case' 0 N--CA 1.513 2.716 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.312 179.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -89.6 8.81 29.45 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.425 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.575 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 13.9 tt0 -102.94 -45.37 4.98 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-O 121.446 0.641 . . . . 0.0 110.924 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.8 mt -64.42 -45.87 94.59 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.266 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.1 33.94 1.46 Allowed 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.483 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.575 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 1.5 mtp85 -69.91 -25.97 63.94 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.893 -1.129 . . . . 0.0 109.474 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.6 OUTLIER -63.87 -43.48 95.93 Favored 'General case' 0 N--CA 1.509 2.483 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 177.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.71 -35.52 65.14 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 115.067 -0.97 . . . . 0.0 108.756 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 44.5 m -59.97 111.4 1.47 Allowed 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 114.47 6.7 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.874 -0.517 . . . . 0.0 109.998 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' A' ' 417' ' ' LYS . 0.0 OUTLIER 57.77 91.21 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 121.963 0.887 . . . . 0.0 108.912 179.417 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.475 ' HB3' ' HE2' ' A' ' 418' ' ' LYS . 4.6 ttpt -167.46 72.49 0.11 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.238 1.018 . . . . 0.0 110.303 -177.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.2 p 51.87 29.06 5.59 Favored 'General case' 0 N--CA 1.513 2.695 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.892 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 118.876 -2.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.593 ' H1 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.487 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -79.4 -48.98 13.06 Favored 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 104.676 -2.342 . . . . 0.0 104.676 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.649 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -68.91 149.24 49.1 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.112 -1.858 . . . . 0.0 107.705 175.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.1 pm0 -84.18 32.44 0.49 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.089 -1.007 . . . . 0.0 108.468 175.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -104.4 -60.6 1.57 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.312 -0.868 . . . . 0.0 110.396 -175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.649 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 1.4 ptp -63.89 -34.49 78.05 Favored 'General case' 0 N--CA 1.515 2.803 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.556 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 11.7 t -75.21 -4.67 40.29 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 176.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.8 OUTLIER -109.03 2.97 21.61 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -177.241 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.5 mt -77.14 -112.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.596 -0.69 . . . . 0.0 109.833 -178.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -76.45 46.31 0.42 Allowed 'General case' 0 N--CA 1.527 3.417 0 CA-C-N 119.748 1.158 . . . . 0.0 111.924 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.556 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.97 -5.15 31.08 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.082 -1.011 . . . . 0.0 112.684 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.8 OUTLIER -72.91 -48.87 33.34 Favored 'General case' 0 N--CA 1.511 2.579 0 CA-C-O 121.582 0.706 . . . . 0.0 109.62 179.78 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -36.48 80.68 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.786 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.7 t -79.39 175.87 10.21 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.784 0.802 . . . . 0.0 111.122 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.92 40.26 0.39 Allowed 'General case' 0 N--CA 1.513 2.721 0 O-C-N 121.631 -0.668 . . . . 0.0 112.496 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.48 77.73 1.57 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.402 -1.436 . . . . 0.0 110.773 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.735 ' HD2' HG23 ' A' ' 419' ' ' THR . 0.0 OUTLIER -124.72 103.15 7.94 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.588 -0.695 . . . . 0.0 109.686 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.735 HG23 ' HD2' ' A' ' 418' ' ' LYS . 8.1 p 46.01 54.83 7.69 Favored 'General case' 0 N--CA 1.513 2.685 0 C-N-CA 123.381 0.672 . . . . 0.0 111.578 178.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 118.782 -2.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.763 ' H1 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.482 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 4.6 pm0 -78.56 -41.88 30.77 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.441 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -74.93 149.45 39.41 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 113.228 -1.805 . . . . 0.0 108.363 176.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.7 mm-40 -84.09 35.1 0.52 Allowed 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 174.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -102.46 -59.57 1.68 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.23 -0.919 . . . . 0.0 109.856 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.763 ' SD ' ' H1 ' ' A' ' 402' ' ' ACE . 1.8 ptp -67.38 -33.08 74.47 Favored 'General case' 0 N--CA 1.513 2.696 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.55 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 29.4 t -68.75 -10.93 59.38 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.515 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.8 OUTLIER -108.44 7.38 26.95 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -177.201 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.445 HG22 ' HD2' ' A' ' 411' ' ' LYS . 7.2 mt -75.66 -103.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.512 -0.743 . . . . 0.0 110.578 -178.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.445 ' HD2' HG22 ' A' ' 410' ' ' ILE . 11.1 mptt -83.67 43.24 0.89 Allowed 'General case' 0 N--CA 1.517 2.891 0 O-C-N 120.985 -1.072 . . . . 0.0 110.343 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.55 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -99.02 12.4 36.13 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.342 -0.849 . . . . 0.0 112.447 -178.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.7 OUTLIER -92.39 18.06 8.97 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.587 -0.695 . . . . 0.0 109.844 178.276 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -48.57 4.61 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.34 -0.85 . . . . 0.0 110.842 -178.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.2 t -86.77 178.93 6.86 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-O 121.459 0.647 . . . . 0.0 111.771 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.13 27.28 7.85 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 121.817 -0.552 . . . . 0.0 111.283 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.08 118.65 35.35 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 418' ' ' LYS . 0.0 OUTLIER -165.78 -157.31 0.3 Allowed 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.958 -176.404 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.595 ' HG1' ' N ' ' A' ' 420' ' ' NH2 . 5.1 p -100.94 -51.8 3.45 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.862 -0.524 . . . . 0.0 110.075 -177.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . 0.595 ' N ' ' HG1' ' A' ' 419' ' ' THR . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 119.431 -2.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.57 ' H1 ' ' CE ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.219 -0.503 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -79.21 -37.38 38.29 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.414 ' HB3' ' HE1' ' A' ' 407' ' ' MET . . . -77.97 156.47 30.19 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 113.745 -1.57 . . . . 0.0 108.165 176.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.1 tm-20 -83.92 29.3 0.55 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.0 -1.063 . . . . 0.0 108.521 175.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -99.37 -55.47 2.67 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.128 -0.982 . . . . 0.0 109.027 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.57 ' CE ' ' H1 ' ' A' ' 402' ' ' ACE . 2.7 mpp? -66.73 -31.22 71.73 Favored 'General case' 0 N--CA 1.515 2.8 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.469 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 37.1 t -81.62 2.12 30.86 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.64 177.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.52 ' HA ' ' CD ' ' A' ' 412' ' ' ARG . 1.1 tm0? -101.94 -22.4 14.32 Favored 'General case' 0 N--CA 1.508 2.433 0 O-C-N 121.596 -0.69 . . . . 0.0 111.737 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 5.5 mt -90.63 -51.9 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 CA-C-O 121.202 0.525 . . . . 0.0 110.046 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.92 32.46 1.66 Allowed 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.202 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.52 ' CD ' ' HA ' ' A' ' 409' ' ' GLN . 7.5 mtp180 -62.94 -29.2 70.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.247 -0.908 . . . . 0.0 109.197 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 413' ' ' LEU . 2.3 mt -57.08 -36.96 71.2 Favored 'General case' 0 N--CA 1.515 2.798 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 176.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.28 -38.27 17.7 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.098 178.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.3 83.43 3.75 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-O 121.515 0.674 . . . . 0.0 109.421 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -82.71 69.64 9.54 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.97 67.99 9.95 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.4 87.46 0.16 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.746 -0.596 . . . . 0.0 109.674 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.5 p 58.7 17.41 5.1 Favored 'General case' 0 N--CA 1.515 2.813 0 O-C-N 122.066 -0.396 . . . . 0.0 111.069 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 118.959 -2.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.637 ' H1 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.458 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -78.99 -49.17 13.16 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.645 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -66.13 153.25 42.86 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.36 -1.746 . . . . 0.0 108.467 175.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -83.82 31.4 0.48 Allowed 'General case' 0 N--CA 1.509 2.482 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 174.514 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 406' ' ' ARG . 0.0 OUTLIER -106.93 -65.56 1.08 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.345 -0.847 . . . . 0.0 112.076 -174.516 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.645 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 1.5 ptp -63.55 -29.96 71.15 Favored 'General case' 0 N--CA 1.514 2.729 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.086 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.5 t -89.78 12.7 16.34 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.52 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 6.8 tp-100 -107.11 -49.85 3.2 Favored 'General case' 0 N--CA 1.501 2.111 0 CA-C-O 121.906 0.86 . . . . 0.0 110.29 -177.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.5 mt -68.1 -43.54 85.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.261 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 28.65 2.61 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.149 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.52 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.3 OUTLIER -62.77 -22.89 66.92 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 121.295 -0.878 . . . . 0.0 110.938 178.268 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 413' ' ' LEU . 3.1 mt -60.91 -38.25 85.07 Favored 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 177.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.24 -41.84 13.4 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.5 90.97 3.31 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.607 -179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -77.25 83.71 3.71 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.39 41.32 2.84 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.511 ' C ' HG23 ' A' ' 419' ' ' THR . 0.0 OUTLIER -124.26 27.92 6.89 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.363 -0.836 . . . . 0.0 111.456 -179.015 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.511 HG23 ' C ' ' A' ' 418' ' ' LYS . 0.7 OUTLIER 71.98 133.61 0.04 OUTLIER 'General case' 0 N--CA 1.52 3.064 0 O-C-N 120.884 -1.135 . . . . 0.0 110.553 178.226 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.441 0 O-C-N 119.172 -2.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.54 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.226 -0.166 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -79.16 -49.15 13.03 Favored 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.404 ' HB3' ' HE2' ' A' ' 407' ' ' MET . . . -61.58 159.41 13.17 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.373 -1.74 . . . . 0.0 108.363 175.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 22.5 mm-40 -83.7 24.71 0.84 Allowed 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.986 -1.071 . . . . 0.0 109.874 176.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -103.79 -64.23 1.12 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.413 -0.804 . . . . 0.0 109.216 -177.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.54 ' HB2' ' H1 ' ' A' ' 402' ' ' ACE . 2.9 mpp? -66.23 -43.02 87.81 Favored 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.454 ' CB ' ' HG3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -60.75 -35.54 76.64 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.082 176.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 4.3 tp-100 -50.68 -24.22 3.21 Favored 'General case' 0 N--CA 1.516 2.864 0 O-C-N 121.533 -0.729 . . . . 0.0 111.764 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -88.58 -60.53 2.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 O-C-N 122.034 -0.416 . . . . 0.0 110.156 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.35 22.44 12.52 Favored 'General case' 0 N--CA 1.521 3.084 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.494 ' HD3' ' HA ' ' A' ' 409' ' ' GLN . 13.1 mtp180 -59.21 -22.89 61.74 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.895 -1.128 . . . . 0.0 110.841 178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 413' ' ' LEU . 3.3 mt -57.68 -28.96 64.27 Favored 'General case' 0 N--CA 1.508 2.462 0 CA-C-O 120.813 0.339 . . . . 0.0 110.156 178.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 414' ' ' LEU . 1.2 mm? -98.75 8.28 45.13 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 122.699 0.399 . . . . 0.0 111.637 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.55 78.11 7.31 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.853 -1.154 . . . . 0.0 109.824 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -29.09 36.68 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 121.961 -0.462 . . . . 0.0 111.166 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -121.52 36.42 4.62 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.508 -0.745 . . . . 0.0 110.706 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -156.76 176.27 12.96 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.284 -0.885 . . . . 0.0 110.751 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.47 -67.59 0.64 Allowed 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -178.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 119.645 -1.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 1.049 ' H1 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.494 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -79.57 -48.8 13.19 Favored 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.527 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -72.26 151.39 42.86 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.082 -1.872 . . . . 0.0 107.935 175.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -84.75 30.71 0.55 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.943 -1.098 . . . . 0.0 108.571 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -106.41 -65.7 1.06 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.137 -0.977 . . . . 0.0 111.883 -174.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 1.049 ' SD ' ' H1 ' ' A' ' 402' ' ' ACE . 1.6 pmm? -59.68 -37.34 78.53 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.526 -178.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 25.9 t -69.7 -37.17 76.48 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.578 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 44.2 tt0 -53.09 -29.96 33.53 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 122.732 0.413 . . . . 0.0 111.527 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 6.7 mt -72.98 -29.01 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 122.26 -0.275 . . . . 0.0 111.207 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -94.72 -4.74 46.91 Favored 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.578 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -89.96 23.49 2.76 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.003 -1.061 . . . . 0.0 110.596 178.694 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 413' ' ' LEU . 5.1 mt -59.88 -21.76 61.45 Favored 'General case' 0 N--CA 1.51 2.567 0 O-C-N 121.134 -0.979 . . . . 0.0 110.543 178.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.67 -19.38 45.36 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 122.739 0.416 . . . . 0.0 110.612 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.55 89.2 2.72 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-N 119.222 0.919 . . . . 0.0 109.221 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.44 90.49 0.98 Allowed 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.2 OUTLIER 56.58 74.92 0.38 Allowed 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 122.258 1.028 . . . . 0.0 108.502 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.847 ' HD2' HG23 ' A' ' 419' ' ' THR . 0.0 OUTLIER -155.57 109.2 2.8 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.364 -175.575 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.847 HG23 ' HD2' ' A' ' 418' ' ' LYS . 11.9 p 44.14 38.47 2.36 Favored 'General case' 0 N--CA 1.511 2.6 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.32 177.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.13 -2.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.531 ' H1 ' ' CE ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.485 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 2.7 pm0 -79.95 -35.29 37.88 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 403' ' ' GLN 0.254 . . -83.38 157.21 22.61 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 113.615 -1.63 . . . . 0.0 109.31 178.104 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.08 36.49 0.63 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 174.308 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.22 -58.78 1.81 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.0 108.86 -176.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.531 ' CE ' ' H1 ' ' A' ' 402' ' ' ACE . 2.4 mpp? -67.78 -29.44 68.64 Favored 'General case' 0 N--CA 1.512 2.664 0 CA-C-N 115.089 -0.959 . . . . 0.0 108.696 176.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.561 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 47.1 t -84.25 5.91 24.81 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.034 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 57.3 tt0 -100.99 -14.78 17.72 Favored 'General case' 0 N--CA 1.509 2.514 0 C-N-CA 123.538 0.735 . . . . 0.0 111.122 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.4 mt -88.1 -51.04 13.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 O-C-N 121.762 -0.586 . . . . 0.0 109.641 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.11 30.82 2.04 Favored 'General case' 0 N--CA 1.511 2.58 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.825 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -60.97 -29.36 69.62 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.101 -0.999 . . . . 0.0 109.367 178.072 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.86 -37.68 71.64 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-O 121.58 0.705 . . . . 0.0 109.27 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.57 -34.57 15.45 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.027 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.4 t -80.25 58.52 3.08 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.619 -0.676 . . . . 0.0 111.03 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.72 -17.75 57.28 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.794 -0.567 . . . . 0.0 111.319 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.12 38.41 2.55 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.03 90.8 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -178.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.4 p 62.33 11.71 4.72 Favored 'General case' 0 N--CA 1.518 2.93 0 O-C-N 122.004 -0.435 . . . . 0.0 110.932 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.228 0 O-C-N 119.062 -2.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.41 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.221 -0.445 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -79.34 -38.46 35.09 Favored 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.469 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -69.91 162.82 27.25 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.245 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.9 OUTLIER -82.59 23.6 0.77 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.889 -1.132 . . . . 0.0 108.795 174.757 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -106.98 -70.07 0.81 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.979 -1.075 . . . . 0.0 111.509 -175.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 7.2 mtm -58.35 -42.5 87.03 Favored 'General case' 0 N--CA 1.514 2.753 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.201 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 32.1 t -66.01 -38.42 88.4 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.658 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 18.8 tt0 -52.31 -29.14 21.96 Favored 'General case' 0 N--CA 1.513 2.694 0 C-N-CA 122.78 0.432 . . . . 0.0 111.925 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 5.4 mt -73.28 -26.07 22.14 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 122.244 -0.285 . . . . 0.0 110.608 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.48 ' HD3' ' N ' ' A' ' 411' ' ' LYS . 0.0 OUTLIER -96.55 -21.42 17.69 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 122.69 0.396 . . . . 0.0 111.99 -179.265 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.658 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -85.93 18.84 2.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.459 -0.775 . . . . 0.0 112.009 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 6.0 mt -55.04 -35.81 64.86 Favored 'General case' 0 N--CA 1.522 3.138 0 O-C-N 121.342 -0.849 . . . . 0.0 109.953 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.47 -9.87 38.64 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 123.294 0.638 . . . . 0.0 112.372 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 67.3 m -71.96 85.14 0.98 Allowed 'General case' 0 N--CA 1.5 2.025 0 CA-C-N 119.236 0.925 . . . . 0.0 109.522 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.26 -48.89 71.68 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 121.746 -0.596 . . . . 0.0 109.697 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -139.39 75.1 1.5 Allowed 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.519 0.676 . . . . 0.0 109.353 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.59 -165.4 1.54 Allowed 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.654 -0.654 . . . . 0.0 110.542 -179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.618 ' HG1' ' N ' ' A' ' 420' ' ' NH2 . 1.7 t -165.6 169.96 14.77 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.379 -0.826 . . . . 0.0 110.229 -177.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . 0.618 ' N ' ' HG1' ' A' ' 419' ' ' THR . . . . . . . . 0 C--N 1.303 -1.434 0 O-C-N 119.258 -2.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.575 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.223 -0.321 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -80.94 -47.12 14.13 Favored 'General case' 0 N--CA 1.504 2.236 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.636 ' HB3' ' HE2' ' A' ' 407' ' ' MET . . . -68.39 168.67 12.14 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 113.424 -1.717 . . . . 0.0 108.583 176.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.25 13.04 3.75 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.334 -0.854 . . . . 0.0 109.537 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -104.21 -60.13 1.63 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.159 -0.963 . . . . 0.0 110.873 -175.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.636 ' HE2' ' HB3' ' A' ' 404' ' ' ALA . 2.7 mpp? -67.15 -36.35 81.64 Favored 'General case' 0 N--CA 1.509 2.49 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -4.27 23.49 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.788 176.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -96.68 -28.72 14.19 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.842 -0.537 . . . . 0.0 109.898 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 2.4 mt -94.79 -50.66 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.6 27.94 2.83 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.035 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -26.14 60.77 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.164 -0.96 . . . . 0.0 110.331 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.18 -37.66 69.9 Favored 'General case' 0 N--CA 1.512 2.66 0 CA-C-O 121.577 0.704 . . . . 0.0 109.429 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.91 -30.32 12.44 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.028 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.58 -55.34 4.72 Favored 'General case' 0 N--CA 1.511 2.589 0 O-C-N 121.475 -0.765 . . . . 0.0 112.567 -177.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -85.54 -45.46 11.76 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.984 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.34 69.12 10.44 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.411 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 0.4 OUTLIER -167.84 178.3 5.29 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.58 -0.7 . . . . 0.0 110.647 -178.782 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 21.4 p -91.45 128.67 37.38 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 121.39 0.614 . . . . 0.0 110.557 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.466 0 O-C-N 119.353 -2.092 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.857 ' H3 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.497 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -81.7 -48.0 12.24 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.273 . . -53.2 160.64 1.04 Allowed 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.448 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.5 32.61 0.57 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 173.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -95.64 -46.94 6.42 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.149 -0.97 . . . . 0.0 109.051 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.857 ' SD ' ' H3 ' ' A' ' 402' ' ' ACE . 0.0 OUTLIER -67.88 -29.83 69.04 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 175.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.546 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 20.4 t -74.63 -9.12 58.26 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 122.693 0.397 . . . . 0.0 110.303 176.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -109.0 6.75 25.43 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -177.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.4 mt -77.67 -114.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.454 -0.779 . . . . 0.0 110.121 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.42 45.13 0.37 Allowed 'General case' 0 N--CA 1.524 3.273 0 CA-C-N 119.675 1.125 . . . . 0.0 112.401 -179.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.546 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -94.96 -10.15 31.89 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.178 -0.951 . . . . 0.0 111.908 179.641 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 413' ' ' LEU . 3.1 mt -66.15 -46.07 78.72 Favored 'General case' 0 N--CA 1.508 2.474 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -36.77 76.85 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.975 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.22 164.72 6.62 Favored 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.832 -0.542 . . . . 0.0 110.746 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.05 -74.47 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.558 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.547 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.8 89.02 0.08 Allowed 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 122.202 1.001 . . . . 0.0 108.421 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -152.28 -177.11 5.99 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.774 -0.579 . . . . 0.0 111.025 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.572 ' HG1' ' N ' ' A' ' 420' ' ' NH2 . 1.2 t -150.67 166.6 29.87 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.826 -0.546 . . . . 0.0 110.194 -177.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . 0.572 ' N ' ' HG1' ' A' ' 419' ' ' THR . . . . . . . . 0 C--N 1.302 -1.468 0 O-C-N 119.286 -2.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.462 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -80.06 -47.84 14.22 Favored 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 105.872 -1.899 . . . . 0.0 105.872 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -61.76 158.99 14.45 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 113.262 -1.79 . . . . 0.0 108.711 176.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 1.5 mt-10 -83.84 28.6 0.58 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.008 -1.057 . . . . 0.0 108.843 175.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -104.99 -66.1 1.0 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.073 -1.017 . . . . 0.0 109.833 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.416 ' HB2' ' HE3' ' A' ' 407' ' ' MET . 4.8 mtm -65.56 -31.59 72.73 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.721 178.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.499 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 7.5 t -87.5 13.03 10.87 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 1.8 tt0 -100.91 -30.08 11.85 Favored 'General case' 0 N--CA 1.511 2.595 0 C-N-CA 123.384 0.674 . . . . 0.0 110.824 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.7 mt -80.18 -56.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -95.86 36.28 1.31 Allowed 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.702 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.502 ' NE ' ' HA ' ' A' ' 409' ' ' GLN . 6.7 mtp180 -61.73 -29.84 70.38 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.73 -1.232 . . . . 0.0 108.888 177.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.6 mt -54.12 -34.37 60.12 Favored 'General case' 0 N--CA 1.514 2.751 0 CA-C-O 121.701 0.762 . . . . 0.0 109.561 176.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 414' ' ' LEU . 0.5 OUTLIER -93.86 -32.37 13.96 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.538 177.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . 0.501 ' HB3' ' HA ' ' A' ' 412' ' ' ARG . 8.6 t -77.49 -120.08 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 122.008 -0.432 . . . . 0.0 110.951 -178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -69.63 52.35 0.11 Allowed 'General case' 0 N--CA 1.514 2.752 0 O-C-N 121.274 -0.891 . . . . 0.0 112.568 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -116.05 75.87 0.98 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.602 -1.311 . . . . 0.0 108.515 178.351 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.509 ' C ' HG23 ' A' ' 419' ' ' THR . 0.3 OUTLIER -138.37 29.06 2.46 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.746 -0.596 . . . . 0.0 110.848 -179.074 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.509 HG23 ' C ' ' A' ' 418' ' ' LYS . 0.5 OUTLIER 68.09 125.55 0.02 OUTLIER 'General case' 0 N--CA 1.515 2.809 0 O-C-N 120.933 -1.105 . . . . 0.0 110.166 178.584 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.473 0 O-C-N 119.139 -2.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.542 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.449 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -79.68 -48.95 12.84 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.439 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -66.99 158.51 30.74 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 113.336 -1.756 . . . . 0.0 108.995 175.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.43 27.9 0.57 Allowed 'General case' 0 N--CA 1.509 2.484 0 O-C-N 121.176 -0.952 . . . . 0.0 108.452 173.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -53.19 2.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.165 -0.959 . . . . 0.0 110.726 -176.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.542 ' HB2' ' H1 ' ' A' ' 402' ' ' ACE . 2.8 mpp? -65.45 -39.73 92.38 Favored 'General case' 0 N--CA 1.513 2.689 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.545 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 8.4 t -70.23 -2.65 13.9 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.766 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -110.27 1.47 18.61 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 -177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.0 mt -75.45 -105.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.673 -0.642 . . . . 0.0 111.264 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 43.59 0.65 Allowed 'General case' 0 N--CA 1.521 3.12 0 O-C-N 121.054 -1.028 . . . . 0.0 111.54 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.545 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -99.68 -5.84 28.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.034 -1.042 . . . . 0.0 112.85 -179.029 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 413' ' ' LEU . 5.4 mt -58.18 -39.73 79.64 Favored 'General case' 0 N--CA 1.513 2.681 0 CA-C-O 121.274 0.559 . . . . 0.0 110.231 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -22.9 64.77 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 122.985 0.514 . . . . 0.0 111.99 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 7.4 t -85.94 -178.84 6.67 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.514 -0.741 . . . . 0.0 110.933 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.85 69.03 4.95 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.427 -0.796 . . . . 0.0 109.908 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 417' ' ' LYS . 13.2 ttpp -90.64 60.15 4.45 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.274 -0.891 . . . . 0.0 108.855 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.19 67.32 0.05 OUTLIER 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.621 -0.674 . . . . 0.0 109.485 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.2 p 69.22 109.02 0.05 Allowed 'General case' 0 N--CA 1.518 2.944 0 C-N-CA 123.37 0.668 . . . . 0.0 110.337 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.552 0 O-C-N 118.64 -2.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.797 ' H1 ' ' HE3' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.45 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -79.28 -37.92 36.67 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -77.19 153.1 34.44 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 113.562 -1.654 . . . . 0.0 108.14 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 10.1 mm-40 -84.23 34.11 0.51 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.96 -1.088 . . . . 0.0 108.257 174.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -100.75 -55.39 2.59 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.991 -1.068 . . . . 0.0 108.581 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.797 ' HE3' ' H1 ' ' A' ' 402' ' ' ACE . 2.5 mpp? -65.61 -27.85 68.7 Favored 'General case' 0 N--CA 1.509 2.512 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 175.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.492 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 22.7 t -85.35 -0.0 53.44 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.731 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.475 ' HA ' ' HG2' ' A' ' 412' ' ' ARG . 5.3 tp60 -98.94 -24.38 14.97 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.684 -0.635 . . . . 0.0 110.786 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.9 mt -91.17 -47.81 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.52 28.74 2.84 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.587 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 408' ' ' SER . 0.1 OUTLIER -56.82 -27.13 59.59 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.199 -0.938 . . . . 0.0 110.484 178.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 3.5 mt -55.47 -41.01 72.35 Favored 'General case' 0 N--CA 1.515 2.786 0 CA-C-O 121.677 0.751 . . . . 0.0 109.437 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.09 -30.38 13.07 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.018 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 1.1 t -70.72 138.47 50.58 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.524 -0.735 . . . . 0.0 111.642 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -80.56 78.89 7.25 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -97.23 62.75 1.8 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.21 127.33 1.22 Allowed 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 121.567 0.699 . . . . 0.0 110.662 -178.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.478 ' HG1' ' N ' ' A' ' 420' ' ' NH2 . 1.2 t -69.86 -96.02 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.269 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.516 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . 0.478 ' N ' ' HG1' ' A' ' 419' ' ' THR . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 118.545 -2.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.943 ' H1 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.49 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -80.65 -48.07 13.15 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -67.85 146.11 53.99 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 113.032 -1.895 . . . . 0.0 108.507 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.7 OUTLIER -85.06 40.4 0.82 Allowed 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 174.736 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -103.7 -67.27 0.9 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.834 -1.166 . . . . 0.0 109.063 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.943 ' SD ' ' H1 ' ' A' ' 402' ' ' ACE . 1.6 pmm? -61.61 -33.72 74.4 Favored 'General case' 0 N--CA 1.513 2.677 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 177.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 28.1 t -76.25 -3.64 37.62 Favored 'General case' 0 N--CA 1.503 2.202 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.439 176.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -100.03 -35.57 9.66 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.671 -0.643 . . . . 0.0 110.294 179.59 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.58 -42.23 14.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.228 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -93.96 5.6 51.15 Favored 'General case' 0 N--CA 1.512 2.655 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -22.21 60.83 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.501 -0.749 . . . . 0.0 110.751 177.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.1 mt -57.46 -28.87 63.75 Favored 'General case' 0 N--CA 1.51 2.525 0 CA-C-O 121.026 0.441 . . . . 0.0 110.01 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -20.71 59.64 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.702 179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 5.2 t -94.34 106.6 18.58 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.428 -0.795 . . . . 0.0 109.548 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.32 77.81 5.84 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -106.36 36.27 2.66 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.92 -0.487 . . . . 0.0 111.054 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -128.14 42.04 3.39 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.423 -0.798 . . . . 0.0 109.747 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 4.5 t 39.73 74.99 0.08 Allowed 'General case' 0 N--CA 1.522 3.165 0 C-N-CA 123.633 0.773 . . . . 0.0 112.191 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.2 -2.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.52 ' H1 ' ' HE3' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.221 -0.417 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -79.75 -47.44 15.26 Favored 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.55 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -68.18 157.61 35.02 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 113.204 -1.816 . . . . 0.0 109.017 176.476 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 10.7 tp10 -84.35 29.56 0.58 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.202 -0.936 . . . . 0.0 108.492 174.805 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -100.98 -55.19 2.62 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.316 -0.865 . . . . 0.0 109.35 -177.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.55 ' CE ' ' HB3' ' A' ' 404' ' ' ALA . 5.2 mtm -65.78 -33.27 75.48 Favored 'General case' 0 N--CA 1.513 2.725 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 177.826 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.42 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 29.2 t -72.17 -9.55 58.59 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.222 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 6.3 tt0 -111.48 10.4 21.35 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -176.758 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.1 mt -73.31 -110.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.449 -0.782 . . . . 0.0 110.76 -177.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -81.93 30.84 0.37 Allowed 'General case' 0 N--CA 1.522 3.162 0 O-C-N 120.565 -1.335 . . . . 0.0 111.776 -179.466 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.44 ' N ' ' HD2' ' A' ' 412' ' ' ARG . 0.0 OUTLIER -68.56 -24.35 64.61 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.365 -0.835 . . . . 0.0 110.655 178.321 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.6 OUTLIER -66.53 -30.51 70.84 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.922 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.25 -51.4 5.18 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.835 0.454 . . . . 0.0 110.392 -179.416 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 2.1 m -84.48 71.75 10.7 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.414 0.626 . . . . 0.0 109.928 -178.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.75 -41.52 64.11 Favored 'General case' 0 N--CA 1.513 2.692 0 O-C-N 122.071 -0.393 . . . . 0.0 110.765 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -124.76 41.5 3.49 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.243 0.544 . . . . 0.0 110.464 -179.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.7 96.89 3.32 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.494 -0.754 . . . . 0.0 109.125 179.451 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.3 p 62.24 27.77 16.63 Favored 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 116.594 -0.275 . . . . 0.0 110.5 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.164 0 O-C-N 118.489 -2.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.753 ' H1 ' ' CG ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.223 -0.295 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -80.15 -48.67 12.81 Favored 'General case' 0 N--CA 1.505 2.281 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.679 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -62.37 159.81 14.59 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 113.414 -1.721 . . . . 0.0 108.396 175.763 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 3.6 mt-10 -83.37 25.71 0.71 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.844 -1.16 . . . . 0.0 108.96 174.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.528 ' HA ' ' NE ' ' A' ' 406' ' ' ARG . 7.9 tpm_? -107.56 -69.25 0.85 Allowed 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.897 -1.127 . . . . 0.0 111.847 -174.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.753 ' CG ' ' H1 ' ' A' ' 402' ' ' ACE . 1.0 OUTLIER -66.24 -31.79 72.83 Favored 'General case' 0 N--CA 1.513 2.7 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.847 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.576 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -74.04 -4.13 33.56 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.035 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 0.6 OUTLIER -109.47 0.46 19.31 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.943 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.9 mt -74.45 -107.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.735 -0.603 . . . . 0.0 111.195 -177.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -80.91 45.81 0.85 Allowed 'General case' 0 N--CA 1.519 3.011 0 O-C-N 120.96 -1.087 . . . . 0.0 111.12 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.576 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.43 8.16 45.23 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.188 -0.945 . . . . 0.0 112.176 -179.6 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.3 OUTLIER -89.6 9.26 27.48 Favored 'General case' 0 N--CA 1.504 2.235 0 O-C-N 121.768 -0.583 . . . . 0.0 111.0 179.056 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.4 -53.04 3.59 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.5 -0.75 . . . . 0.0 109.316 -179.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 7.5 t -95.9 -174.81 3.23 Favored 'General case' 0 N--CA 1.503 2.183 0 CA-C-O 121.191 0.52 . . . . 0.0 110.447 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.04 39.25 2.19 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.543 -0.723 . . . . 0.0 110.762 -179.711 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.5 74.52 0.89 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.214 -0.929 . . . . 0.0 109.066 179.61 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 419' ' ' THR . 18.1 ttpp -158.04 155.64 29.67 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-O 121.97 0.891 . . . . 0.0 110.863 -179.495 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.6 ' HG1' ' N ' ' A' ' 420' ' ' NH2 . 1.8 t -117.33 -119.38 0.31 Allowed 'General case' 0 N--CA 1.499 1.988 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.622 -179.445 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . 0.6 ' N ' ' HG1' ' A' ' 419' ' ' THR . . . . . . . . 0 C--N 1.309 -1.182 0 O-C-N 118.605 -2.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.829 ' H3 ' ' SD ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.218 -0.559 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -82.3 -47.13 12.74 Favored 'General case' 0 N--CA 1.503 2.184 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . 0.267 . . -52.4 161.4 0.67 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 112.88 -1.964 . . . . 0.0 112.005 177.39 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -85.14 32.18 0.55 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 173.198 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.28 -47.58 5.39 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.134 -0.979 . . . . 0.0 109.514 -177.795 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.829 ' SD ' ' H3 ' ' A' ' 402' ' ' ACE . 0.0 OUTLIER -67.07 -30.21 70.2 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 176.63 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.56 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 8.7 t -76.41 -2.42 31.85 Favored 'General case' 0 N--CA 1.501 2.112 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 176.817 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -109.29 0.32 19.51 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.3 mt -71.99 -107.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.474 -0.766 . . . . 0.0 111.083 -178.079 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -81.53 45.47 0.88 Allowed 'General case' 0 N--CA 1.52 3.027 0 O-C-N 120.921 -1.112 . . . . 0.0 111.022 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.56 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -98.95 7.78 45.67 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.265 -0.897 . . . . 0.0 112.242 -179.327 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.8 OUTLIER -89.02 12.02 16.69 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.726 -0.609 . . . . 0.0 110.532 178.932 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.74 -52.76 3.63 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.445 -0.784 . . . . 0.0 109.477 -179.863 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 6.1 t -94.48 173.91 7.39 Favored 'General case' 0 N--CA 1.506 2.359 0 CA-C-O 120.821 0.343 . . . . 0.0 110.988 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.27 -48.15 0.49 Allowed 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 123.52 0.728 . . . . 0.0 111.971 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.74 -46.35 1.72 Allowed 'General case' 0 N--CA 1.5 2.065 0 CA-C-N 119.191 0.905 . . . . 0.0 110.629 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp 67.49 95.83 0.06 Allowed 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 122.838 0.455 . . . . 0.0 110.642 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 48.0 p 53.89 95.71 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.458 0 C-N-CA 124.368 1.067 . . . . 0.0 112.396 177.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.396 0 O-C-N 119.355 -2.091 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.601 ' H1 ' ' HE3' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.221 -0.446 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -80.46 -48.48 12.77 Favored 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -66.2 158.76 27.96 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-N 113.15 -1.841 . . . . 0.0 109.251 176.177 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 12.0 tp10 -84.46 29.99 0.57 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.097 -1.002 . . . . 0.0 108.68 175.092 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -103.31 -53.32 2.83 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.782 -1.199 . . . . 0.0 110.112 -176.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.601 ' HE3' ' H1 ' ' A' ' 402' ' ' ACE . 2.9 mpp? -66.49 -40.19 89.15 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 176.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.566 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 33.1 t -65.67 -10.74 38.95 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.261 176.181 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 5.7 tt0 -109.2 7.0 25.22 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -176.799 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.3 mt -74.36 -100.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.289 -0.882 . . . . 0.0 110.415 -178.617 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -84.18 38.81 0.68 Allowed 'General case' 0 N--CA 1.517 2.915 0 O-C-N 120.953 -1.092 . . . . 0.0 110.388 179.267 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.566 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.1 OUTLIER -100.83 17.36 22.31 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.246 -0.909 . . . . 0.0 112.49 -178.112 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 413' ' ' LEU . 2.9 mt -82.01 15.82 2.16 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.421 -0.799 . . . . 0.0 110.922 179.184 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.407 ' HA ' HD13 ' A' ' 414' ' ' LEU . 2.6 mm? -96.16 -52.08 4.16 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 121.271 -0.893 . . . . 0.0 109.097 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.2 t -91.6 -178.1 4.98 Favored 'General case' 0 N--CA 1.505 2.299 0 CA-C-O 121.399 0.619 . . . . 0.0 110.796 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.04 82.85 1.81 Allowed 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.665 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -105.98 50.47 0.78 Allowed 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.62 -0.675 . . . . 0.0 109.704 179.75 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -164.2 91.41 0.61 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.211 -0.93 . . . . 0.0 110.24 -179.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 43.5 p 48.73 76.36 0.12 Allowed 'General case' 0 N--CA 1.502 2.164 0 CA-C-O 121.361 0.601 . . . . 0.0 111.61 178.228 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.453 0 O-C-N 119.385 -2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.651 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.223 -0.319 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -79.57 -51.03 9.82 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.472 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -65.44 168.55 7.1 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.215 175.22 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -82.5 15.22 2.63 Favored 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 118.928 -1.109 . . . . 0.0 109.71 175.545 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.413 ' NH2' ' HB2' ' A' ' 406' ' ' ARG . 0.0 OUTLIER -104.2 -59.83 1.67 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.364 -0.835 . . . . 0.0 110.812 -176.833 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.651 ' HB2' ' H1 ' ' A' ' 402' ' ' ACE . 5.7 mtm -66.08 -32.04 73.27 Favored 'General case' 0 N--CA 1.514 2.748 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.345 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.547 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -74.09 -4.19 34.06 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.859 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 33.9 tt0 -112.32 4.05 17.43 Favored 'General case' 0 N--CA 1.502 2.16 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -176.599 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 8.2 mt -73.76 -109.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.187 -0.945 . . . . 0.0 111.861 -176.679 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 29.46 0.37 Allowed 'General case' 0 N--CA 1.524 3.271 0 O-C-N 120.752 -1.217 . . . . 0.0 111.191 -178.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.547 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -64.29 -19.77 65.64 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.002 -1.061 . . . . 0.0 112.065 179.321 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.08 -38.97 92.51 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' ' 414' ' ' LEU . 3.7 mm? -99.9 -47.77 4.91 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.015 -179.415 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 2.4 m -66.38 -178.67 0.69 Allowed 'General case' 0 N--CA 1.51 2.531 0 O-C-N 122.121 -0.362 . . . . 0.0 111.603 -178.755 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 4.51 -93.67 0.0 OUTLIER 'General case' 0 N--CA 1.533 3.723 0 C-N-CA 125.095 1.358 . . . . 0.0 113.661 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.31 78.85 0.25 Allowed 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 123.146 1.45 . . . . 0.0 108.142 178.686 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.444 ' HB3' ' NZ ' ' A' ' 418' ' ' LYS . 0.0 OUTLIER -132.65 65.76 1.58 Allowed 'General case' 0 N--CA 1.49 1.553 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.406 -177.231 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 2.5 t 37.94 79.65 0.03 OUTLIER 'General case' 0 N--CA 1.525 3.284 0 C-N-CA 123.597 0.759 . . . . 0.0 112.69 178.402 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 118.926 -2.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.254 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -80.13 -41.6 25.12 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -68.44 158.97 32.55 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 113.612 -1.631 . . . . 0.0 109.469 176.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.3 mt-10 -85.44 32.92 0.56 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 174.491 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -66.86 0.96 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.046 -1.034 . . . . 0.0 111.087 -175.404 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.461 ' H ' ' HE3' ' A' ' 407' ' ' MET . 5.8 mtm -57.16 -44.48 83.52 Favored 'General case' 0 N--CA 1.517 2.889 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.691 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -62.62 -42.08 99.38 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.02 177.589 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 2.4 tp60 -51.45 -24.74 5.35 Favored 'General case' 0 N--CA 1.511 2.613 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 178.27 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 6.3 mt -81.66 -65.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 121.821 -0.55 . . . . 0.0 110.401 179.504 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.34 19.66 18.37 Favored 'General case' 0 N--CA 1.518 2.953 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.114 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 408' ' ' SER . 27.1 mtt180 -60.39 -21.39 62.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.839 -1.163 . . . . 0.0 110.902 178.187 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 413' ' ' LEU . 0.8 OUTLIER -66.93 -29.66 69.59 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-O 120.96 0.409 . . . . 0.0 110.346 179.1 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.92 -45.31 9.79 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.54 75.64 10.13 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.8 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 417' ' ' LYS . 0.8 OUTLIER -62.79 -31.59 72.6 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 121.836 -0.54 . . . . 0.0 110.956 -179.656 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.444 ' HB3' ' HE3' ' A' ' 417' ' ' LYS . 11.6 ttpp -121.17 42.07 3.16 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.63 -0.669 . . . . 0.0 109.661 179.781 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.75 -179.46 2.12 Favored 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.24 -0.912 . . . . 0.0 110.509 -179.648 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.641 ' HG1' ' N ' ' A' ' 420' ' ' NH2 . 1.9 t -136.27 175.92 9.17 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.814 -178.625 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . 0.641 ' N ' ' HG1' ' A' ' 419' ' ' THR . . . . . . . . 0 C--N 1.302 -1.49 0 O-C-N 118.574 -2.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.504 ' H1 ' ' HE3' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.221 -0.443 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -79.79 -47.78 14.66 Favored 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.502 ' HB3' ' HE2' ' A' ' 407' ' ' MET . . . -65.9 160.72 22.76 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.397 176.732 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.03 29.09 0.57 Allowed 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.36 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.08 -62.01 1.4 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.99 -1.069 . . . . 0.0 110.884 -175.676 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.504 ' HE3' ' H1 ' ' A' ' 402' ' ' ACE . 6.5 mtm -59.95 -38.8 83.49 Favored 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.862 179.419 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 9.2 t -79.7 4.52 15.95 Favored 'General case' 0 N--CA 1.502 2.174 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 177.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 412' ' ' ARG . 0.9 OUTLIER -102.54 -43.67 5.57 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.647 0.737 . . . . 0.0 109.709 -179.723 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 3.4 mt -89.51 -45.46 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.057 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -95.55 34.66 1.44 Allowed 'General case' 0 N--CA 1.509 2.515 0 CA-C-O 120.761 0.315 . . . . 0.0 111.3 -179.288 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -90.19 -7.4 53.7 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.024 -1.047 . . . . 0.0 111.625 178.444 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 413' ' ' LEU . 4.3 mt -59.71 -28.66 67.52 Favored 'General case' 0 N--CA 1.514 2.763 0 CA-C-N 118.302 0.501 . . . . 0.0 109.947 178.636 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.05 -15.23 62.87 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 119.449 -0.31 . . . . 0.0 110.74 178.407 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 67.8 m -57.64 126.93 29.51 Favored 'General case' 0 N--CA 1.503 2.191 0 CA-C-N 118.886 0.766 . . . . 0.0 109.705 179.389 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.77 -54.94 23.38 Favored 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -127.45 87.89 2.7 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.116 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.58 178.18 3.71 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 121.544 -0.723 . . . . 0.0 111.149 -178.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.11 -61.54 0.66 Allowed 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -178.341 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.042 -2.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.576 ' H1 ' ' HE3' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.221 -0.437 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -79.86 -49.21 12.29 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.473 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -63.68 156.72 26.05 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.4 -1.727 . . . . 0.0 108.575 175.635 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.75 30.09 0.51 Allowed 'General case' 0 N--CA 1.507 2.386 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 174.362 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.8 -59.06 1.8 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.92 -1.112 . . . . 0.0 110.789 -176.213 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.576 ' HE3' ' H1 ' ' A' ' 402' ' ' ACE . 2.1 mpp? -62.39 -33.55 74.98 Favored 'General case' 0 N--CA 1.519 3.024 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.193 179.203 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.515 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 31.2 t -81.06 -3.99 53.74 Favored 'General case' 0 N--CA 1.499 1.999 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.369 177.768 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.524 ' HG2' ' HD2' ' A' ' 412' ' ' ARG . 0.4 OUTLIER -100.67 -8.59 22.71 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 123.317 0.647 . . . . 0.0 111.9 179.824 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.435 ' HB ' ' HD3' ' A' ' 411' ' ' LYS . 2.1 mt -95.12 -52.8 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.745 -0.597 . . . . 0.0 109.683 -179.396 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.435 ' HD3' ' HB ' ' A' ' 410' ' ' ILE . 0.9 OUTLIER -93.35 35.06 1.11 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.139 179.084 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.524 ' HD2' ' HG2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -64.42 -27.21 68.84 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.353 -0.842 . . . . 0.0 108.95 177.417 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.28 -31.13 69.95 Favored 'General case' 0 N--CA 1.505 2.325 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 176.735 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.23 -38.82 11.88 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.373 0.669 . . . . 0.0 110.428 179.521 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.11 -17.33 40.49 Favored 'General case' 0 N--CA 1.515 2.816 0 O-C-N 121.441 -0.787 . . . . 0.0 113.1 -178.686 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 36.83 49.76 0.79 Allowed 'General case' 0 N--CA 1.527 3.42 0 C-N-CA 124.385 1.074 . . . . 0.0 112.604 179.675 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 176.99 8.15 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.524 -0.735 . . . . 0.0 109.585 -178.725 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.83 -171.46 0.17 Allowed 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.753 -0.592 . . . . 0.0 111.812 178.526 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 3.0 p -104.17 -162.23 0.88 Allowed 'General case' 0 N--CA 1.509 2.519 0 O-C-N 121.904 -0.497 . . . . 0.0 111.001 -177.267 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.274 0 O-C-N 118.315 -2.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.616 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.223 -0.342 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -80.72 -46.03 16.16 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.449 ' HB3' ' HE2' ' A' ' 407' ' ' MET . . . -65.29 168.39 7.05 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 113.639 -1.619 . . . . 0.0 109.188 176.881 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 0.0 OUTLIER -83.11 19.92 1.34 Allowed 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 174.397 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 406' ' ' ARG . 2.3 tpp85 -109.05 -66.69 1.03 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.407 -0.808 . . . . 0.0 111.501 -173.811 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.616 ' HB2' ' H1 ' ' A' ' 402' ' ' ACE . 8.0 mtm -64.43 -38.05 89.66 Favored 'General case' 0 N--CA 1.513 2.691 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.709 179.559 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.521 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 0.2 OUTLIER -65.92 -40.47 91.48 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.463 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.584 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 10.2 tt0 -53.07 -29.77 32.14 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.167 178.476 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.3 mt -69.12 -27.46 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 122.147 -0.345 . . . . 0.0 111.042 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -94.83 -12.16 27.51 Favored 'General case' 0 N--CA 1.506 2.328 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.802 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.584 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 0.3 OUTLIER -95.69 17.54 14.77 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 118.895 0.77 . . . . 0.0 112.127 -179.463 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.86 -40.89 81.25 Favored 'General case' 0 N--CA 1.517 2.9 0 O-C-N 121.095 -1.003 . . . . 0.0 109.93 179.091 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 414' ' ' LEU . 2.2 pp -74.14 -6.72 49.34 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 1.6 m -71.8 100.41 2.37 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-N 119.723 1.147 . . . . 0.0 109.721 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -51.58 69.19 Favored 'General case' 0 N--CA 1.513 2.704 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.545 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.518 ' NZ ' ' HB3' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -144.14 73.74 1.39 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.834 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.844 ' HD2' HG23 ' A' ' 419' ' ' THR . 0.0 OUTLIER -173.51 105.2 0.13 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.862 -0.524 . . . . 0.0 109.891 -178.915 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.844 HG23 ' HD2' ' A' ' 418' ' ' LYS . 22.8 p 57.61 90.9 0.04 OUTLIER 'General case' 0 N--CA 1.508 2.468 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.299 178.704 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.455 0 O-C-N 119.227 -2.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.471 ' H1 ' ' CE ' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.22 -0.461 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 404' ' ' ALA . 1.9 pm0 -80.02 -37.88 33.18 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.431 ' HB3' ' HE1' ' A' ' 407' ' ' MET . . . -71.67 161.11 31.49 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 113.867 -1.515 . . . . 0.0 108.943 176.862 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 2.7 mm-40 -84.78 31.09 0.54 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 174.466 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.1 -63.6 1.27 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 111.094 -175.368 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.471 ' CE ' ' H1 ' ' A' ' 402' ' ' ACE . 2.3 mpp? -62.97 -36.98 85.3 Favored 'General case' 0 N--CA 1.512 2.63 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.705 -179.563 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.7 t -87.77 12.39 13.02 Favored 'General case' 0 C--O 1.203 -1.386 0 CA-C-O 119.146 -0.454 . . . . 0.0 109.997 178.189 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.586 ' HA ' ' HG3' ' A' ' 412' ' ' ARG . 4.4 tt0 -100.67 -51.19 3.65 Favored 'General case' 0 N--CA 1.504 2.232 0 CA-C-O 121.945 0.878 . . . . 0.0 108.824 179.664 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.9 mt -65.58 -38.48 82.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.26 178.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.526 ' HD2' ' N ' ' A' ' 411' ' ' LYS . 0.1 OUTLIER -98.47 26.13 5.77 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 122.215 -0.303 . . . . 0.0 111.081 -179.369 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.586 ' HG3' ' HA ' ' A' ' 409' ' ' GLN . 1.4 mtp85 -59.43 -22.06 60.92 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.119 -0.988 . . . . 0.0 111.374 178.752 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.2 mt -60.89 -38.92 87.36 Favored 'General case' 0 N--CA 1.507 2.399 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.016 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.35 -37.74 10.82 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.411 179.014 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.89 73.98 7.89 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.23 76.29 5.77 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.64 0.733 . . . . 0.0 109.147 -179.733 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.446 ' HB3' ' HE3' ' A' ' 417' ' ' LYS . 11.9 ttpp -107.25 49.19 0.81 Allowed 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.441 0.638 . . . . 0.0 109.3 179.914 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.744 ' HE2' HG23 ' A' ' 419' ' ' THR . 0.0 OUTLIER -155.38 93.03 1.46 Allowed 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.081 -1.012 . . . . 0.0 110.121 -179.681 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.744 HG23 ' HE2' ' A' ' 418' ' ' LYS . 3.9 p 47.28 37.24 5.5 Favored 'General case' 0 N--CA 1.515 2.816 0 C-N-CA 122.726 0.41 . . . . 0.0 111.566 178.646 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.022 -2.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.52 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.219 -0.542 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -81.07 -47.69 13.2 Favored 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -57.7 163.92 2.32 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 113.488 -1.687 . . . . 0.0 109.752 176.111 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 7.9 mm-40 -83.44 27.45 0.6 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.024 -1.048 . . . . 0.0 108.648 175.039 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -107.81 -67.89 0.93 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.826 -1.171 . . . . 0.0 111.296 -175.536 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.52 ' HB2' ' H1 ' ' A' ' 402' ' ' ACE . 5.8 mtm -64.82 -34.78 79.18 Favored 'General case' 0 N--CA 1.515 2.782 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.155 -179.779 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.557 ' O ' ' HG2' ' A' ' 412' ' ' ARG . 8.5 t -87.75 12.27 13.26 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.568 177.703 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 4.2 tp-100 -102.03 -30.13 11.37 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 123.674 0.79 . . . . 0.0 110.686 -179.88 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 9.8 mt -84.47 -52.17 12.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.409 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.06 29.17 2.51 Favored 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.714 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 408' ' ' SER . 4.3 mtp85 -56.94 -27.76 61.41 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.929 -1.107 . . . . 0.0 110.138 178.504 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.48 -42.54 70.83 Favored 'General case' 0 N--CA 1.515 2.797 0 CA-C-O 121.813 0.816 . . . . 0.0 109.594 178.301 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.51 -30.35 13.37 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.157 179.336 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.0 122.05 16.11 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.527 -0.733 . . . . 0.0 110.851 -178.817 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -113.18 23.56 13.19 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.976 -0.452 . . . . 0.0 110.593 179.193 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.4 52.42 1.82 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.014 -1.054 . . . . 0.0 108.986 -179.78 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -81.05 84.39 6.5 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.435 -0.79 . . . . 0.0 110.007 -179.291 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 39.1 p 47.47 76.97 0.1 Allowed 'General case' 0 N--CA 1.506 2.329 0 CA-C-O 121.478 0.656 . . . . 0.0 111.819 178.342 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.547 0 O-C-N 119.476 -2.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 402' ' ' ACE . . . . . 0.556 ' H1 ' ' HB2' ' A' ' 407' ' ' MET . . . . . . . . 0 C--O 1.224 -0.274 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -79.9 -50.81 9.94 Favored 'General case' 0 N--CA 1.505 2.32 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.41 ' HB3' ' CE ' ' A' ' 407' ' ' MET . . . -66.58 164.7 16.12 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 113.966 -1.47 . . . . 0.0 108.079 175.577 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.517 ' O ' ' HB2' ' A' ' 409' ' ' GLN . 5.6 mm-40 -82.73 21.09 1.04 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.847 -1.158 . . . . 0.0 109.04 174.819 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -103.44 -64.16 1.11 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.183 -0.948 . . . . 0.0 109.165 -177.445 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.556 ' HB2' ' H1 ' ' A' ' 402' ' ' ACE . 7.1 mtm -66.27 -34.75 78.72 Favored 'General case' 0 N--CA 1.514 2.744 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 177.549 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.59 ' C ' ' HD3' ' A' ' 412' ' ' ARG . 0.2 OUTLIER -71.43 -3.49 21.23 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 175.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.517 ' HB2' ' O ' ' A' ' 405' ' ' GLU . 1.3 tp-100 -108.5 2.59 22.35 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -177.489 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 7.5 mt -73.25 -102.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.548 -0.72 . . . . 0.0 110.591 -178.056 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -83.39 40.96 0.75 Allowed 'General case' 0 N--CA 1.522 3.137 0 O-C-N 120.952 -1.092 . . . . 0.0 110.716 179.841 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.59 ' HD3' ' C ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -100.9 12.36 37.77 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.22 -0.925 . . . . 0.0 113.103 -178.047 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 413' ' ' LEU . 2.0 mt -84.31 14.64 4.19 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.519 -0.738 . . . . 0.0 110.803 178.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 414' ' ' LEU . 1.3 mm? -97.54 -51.83 3.99 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 121.409 -0.807 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.03 177.78 5.87 Favored 'General case' 0 N--CA 1.508 2.447 0 CA-C-O 121.628 0.728 . . . . 0.0 110.679 -179.926 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -74.6 70.75 1.84 Allowed 'General case' 0 N--CA 1.507 2.424 0 CA-C-O 121.829 0.823 . . . . 0.0 110.603 -179.453 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.66 68.86 6.6 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.895 -1.128 . . . . 0.0 108.203 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.852 ' HD2' HG23 ' A' ' 419' ' ' THR . 0.0 OUTLIER -140.49 106.41 5.17 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.741 -0.6 . . . . 0.0 110.538 -178.828 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.852 HG23 ' HD2' ' A' ' 418' ' ' LYS . 7.3 p 43.55 48.38 6.32 Favored 'General case' 0 N--CA 1.514 2.734 0 C-N-CA 123.588 0.755 . . . . 0.0 112.03 178.002 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 420' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 118.875 -2.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_