data_6beu_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 6beu _Structure_validation_residue.Date_analyzed 2017-12-22 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 ' 5' ' ' ASP . . . . . . . . . . . . . 5.2 p30 . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 121.598 0.713 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 m -142.99 -179.13 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -72.01 149.38 45.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 O-C-N 124.23 0.956 . . . . 0.0 112.705 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--N 1.325 -0.462 0 C-N-CA 128.152 2.581 . . . . 0.0 109.631 175.197 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt . . . . . 0 N--CA 1.443 -0.777 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--O 1.224 -0.273 0 C-N-CA 124.788 1.235 . . . . 0.0 110.884 171.712 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.301 1.1 p30 . . . . . 0 N--CA 1.445 -0.677 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.4 m -135.16 171.51 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 124.317 2.008 . . . . 0.0 113.178 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -51.54 131.74 29.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 119.243 -2.16 . . . . 0.0 115.495 161.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.0 t . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 113.731 -3.033 . . . . 0.0 111.552 144.268 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.268 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 p30 . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 125.756 2.693 . . . . 0.0 114.222 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.5 m -133.81 -164.59 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 O-C-N 118.33 -2.731 . . . . 0.0 112.764 159.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -75.06 144.17 43.1 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.857 1.663 . . . . 0.0 114.471 -176.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.446 -0.654 0 C-N-CA 126.912 2.085 . . . . 0.0 108.032 160.648 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 115.101 -2.381 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 O-C-N 124.719 1.262 . . . . 0.0 108.192 171.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 p30 . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.66 -163.95 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 124.257 1.98 . . . . 0.0 114.773 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -69.93 139.47 52.91 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 129.204 3.001 . . . . 0.0 114.029 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 N--CA 1.443 -0.794 0 CA-C-N 110.921 -2.854 . . . . 0.0 111.19 170.418 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 118.233 -0.889 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 124.514 2.102 . . . . 0.0 108.032 173.75 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 . . . . . 0 N--CA 1.443 -0.824 0 CA-C-O 117.938 -1.03 . . . . 0.0 113.116 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.403 ' HB ' ' H ' ' A' ' 7' ' ' TYR . 4.4 m -96.31 -167.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -173.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.403 ' H ' ' HB ' ' A' ' 6' ' ' VAL . 6.1 p90 -90.47 142.62 27.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 128.408 3.956 . . . . 0.0 111.846 175.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.0 t . . . . . 0 N--CA 1.448 -0.553 0 CA-C-N 110.66 -2.973 . . . . 0.0 105.321 171.86 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mttm . . . . . 0 C--O 1.235 0.34 0 CA-C-O 115.303 -2.284 . . . . 0.0 115.679 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.447 -0.62 0 O-C-N 125.896 1.998 . . . . 0.0 113.287 173.243 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.1 p30 . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.7 m -109.53 -165.39 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-O 122.628 1.204 . . . . 0.0 113.916 171.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -57.56 150.33 19.28 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 112.995 -1.911 . . . . 0.0 115.437 174.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.449 -0.504 0 CA-C-O 115.301 -2.285 . . . . 0.0 108.612 155.483 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.446 -0.637 0 CA-C-O 117.549 -1.215 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 113.845 -2.979 . . . . 0.0 109.865 174.803 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.217 -0.613 0 CA-C-O 116.99 -1.481 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.251 0.0 OUTLIER -143.48 172.67 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 C-N-CA 130.368 3.467 . . . . 0.0 118.822 -177.325 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -73.01 151.02 41.94 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 125.731 2.681 . . . . 0.0 113.367 171.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.446 -0.657 0 O-C-N 117.967 -2.958 . . . . 0.0 111.73 158.909 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 pttp . . . . . 0 N--CA 1.445 -0.684 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.253 2.6 m-85 . . . . . 0 N--CA 1.444 -0.775 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.6 p30 . . . . . 0 C--O 1.226 -0.147 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 m -108.59 -166.59 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 120.527 -1.358 . . . . 0.0 112.333 -175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -70.77 134.31 47.3 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.318 1.847 . . . . 0.0 113.028 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 116.634 -1.651 . . . . 0.0 115.406 155.879 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.9 pttp . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 172.794 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 . . . . . 0 N--CA 1.448 -0.57 0 CA-C-O 118.345 -0.836 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.5 m -138.24 -42.93 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 114.669 -2.586 . . . . 0.0 113.043 -167.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -148.16 162.28 39.75 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 126.948 2.655 . . . . 0.0 114.19 165.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.328 -0.366 0 C-N-CA 128.695 2.798 . . . . 0.0 109.901 150.723 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 pttm . . . . . 0 N--CA 1.443 -0.791 0 CA-C-O 122.931 1.348 . . . . 0.0 113.88 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.45 -0.433 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.761 -173.2 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.283 1.0 OUTLIER . . . . . 0 N--CA 1.441 -0.903 0 N-CA-C 119.139 3.014 . . . . 0.0 119.139 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 m -134.64 -23.99 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 C-N-CA 128.01 2.524 . . . . 0.0 113.758 170.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -145.47 135.33 23.58 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 -165.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.0 t . . . . . 0 N--CA 1.444 -0.762 0 C-N-CA 127.622 2.369 . . . . 0.0 110.086 165.225 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt . . . . . 0 N--CA 1.449 -0.523 0 CA-C-O 124.075 1.893 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.203 1 O-C-N 114.237 -5.29 . . . . 0.0 116.73 -162.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.267 0.6 OUTLIER . . . . . 0 N--CA 1.446 -0.671 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 m -135.82 -15.98 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 127.396 2.278 . . . . 0.0 115.345 159.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -99.11 150.49 21.98 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 130.21 3.404 . . . . 0.0 117.731 168.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 114.367 -2.73 . . . . 0.0 113.135 154.144 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 121.308 0.575 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.447 0 CA-C-O 126.145 2.879 . . . . 0.0 111.654 173.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.44 -12.16 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 O-C-N 117.723 -3.111 . . . . 0.0 111.507 174.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -103.63 121.37 42.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 123.658 2.935 . . . . 0.0 114.141 -169.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.33 -0.271 0 O-C-N 120.98 -1.075 . . . . 0.0 112.764 178.376 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 mttt . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 121.715 0.769 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 124.022 1.868 . . . . 0.0 113.232 160.399 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t0 . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.62 -21.36 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-O 114.554 -2.641 . . . . 0.0 106.886 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -126.86 153.36 45.8 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 122.777 2.535 . . . . 0.0 109.057 -174.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.441 -0.892 0 C-N-CA 126.872 2.069 . . . . 0.0 106.117 153.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 CA--C 1.518 -0.288 0 CA-C-O 116.699 -1.62 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 O-C-N 127.173 2.796 . . . . 0.0 112.32 -161.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.324 15.7 m -149.21 -26.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 1 C-N-CA 132.048 4.139 . . . . 0.0 114.858 -179.075 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -117.99 169.2 9.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 117.574 -3.204 . . . . 0.0 114.995 163.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 0 N--CA 1.445 -0.701 0 C-N-CA 129.881 3.272 . . . . 0.0 112.379 158.406 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 123.419 1.581 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.623 0 O-C-N 117.868 -3.02 . . . . 0.0 114.058 -172.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 122.814 1.293 . . . . 0.0 114.484 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.58 -38.53 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 128.502 2.721 . . . . 0.0 114.184 174.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -149.66 155.15 39.75 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.306 0 CA-C-N 120.932 1.696 . . . . 0.0 107.737 -174.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 N--CA 1.442 -0.851 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.619 0 O-C-N 125.715 1.884 . . . . 0.0 109.844 -161.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.449 -0.483 0 CA-C-O 122.692 1.234 . . . . 0.0 113.506 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.0 -17.44 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 O-C-N 120.394 -1.441 . . . . 0.0 111.999 171.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -129.71 148.27 51.58 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 118.24 2.681 . . . . 0.0 118.24 -176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.452 -0.358 0 O-C-N 125.943 2.027 . . . . 0.0 106.315 170.624 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 127.357 3.456 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 O-C-N 118.12 -2.862 . . . . 0.0 118.65 -167.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.251 0.2 OUTLIER . . . . . 0 N--CA 1.444 -0.744 0 CA-C-O 123.099 1.428 . . . . 0.0 113.205 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.8 m -131.49 -11.67 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 127.481 2.313 . . . . 0.0 115.473 162.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -134.25 152.84 52.03 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 116.75 2.13 . . . . 0.0 116.75 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 N--CA 1.446 -0.667 0 O-C-N 117.771 -3.08 . . . . 0.0 107.206 160.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mptt . . . . . 0 C--O 1.217 -0.646 0 CA-C-O 123.537 1.637 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 O-C-N 117.597 -3.189 . . . . 0.0 111.29 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 118.054 2.612 . . . . 0.0 118.054 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 m -138.07 -27.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 131.091 3.756 . . . . 0.0 113.642 -174.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -141.25 139.26 33.7 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -165.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.449 -0.493 0 C-N-CA 127.948 2.499 . . . . 0.0 110.728 165.136 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.6 mttt . . . . . 0 N--CA 1.442 -0.827 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 N--CA 1.442 -0.85 0 CA-C-O 126.004 2.811 . . . . 0.0 116.405 175.542 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 121.34 0.59 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.24 -21.76 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 C-N-CA 128.087 2.555 . . . . 0.0 113.147 175.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.332 0.4 OUTLIER -144.54 152.0 39.92 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 125.176 1.548 . . . . 0.0 115.028 177.857 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 t . . . . . 0 N--CA 1.445 -0.681 0 CA-C-O 114.675 -2.583 . . . . 0.0 108.277 175.022 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.3 mttt . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 CA--C 1.514 -0.435 0 O-C-N 120.718 -1.238 . . . . 0.0 109.876 170.355 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.301 1.1 t70 . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 m -138.67 -22.16 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 121.205 3.78 . . . . 0.0 121.205 170.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -128.2 134.99 49.11 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 130.457 3.503 . . . . 0.0 119.912 -175.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 125.279 2.466 . . . . 0.0 107.046 170.509 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mttp . . . . . 0 CA--C 1.518 -0.261 0 CA-C-O 117.959 -1.02 . . . . 0.0 113.398 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.366 0.4 OUTLIER . . . . . 0 C--O 1.235 0.306 0 C-N-CA 128.324 2.65 . . . . 0.0 112.633 -174.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -95.11 45.95 1.11 Allowed 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 126.512 2.383 . . . . 0.0 110.532 175.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -151.22 44.17 0.79 Allowed 'General case' 0 N--CA 1.449 -0.486 1 C-N-CA 132.111 4.164 . . . . 0.0 111.226 -156.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 m -142.99 -179.13 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -72.01 149.38 45.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 O-C-N 124.23 0.956 . . . . 0.0 112.705 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t -156.55 127.78 6.98 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 128.152 2.581 . . . . 0.0 109.631 175.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -138.83 164.83 28.62 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 163.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.6 141.17 58.6 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 124.788 1.235 . . . . 0.0 110.884 171.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -124.14 34.99 4.92 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 123.815 3.007 . . . . 0.0 116.516 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.301 1.1 p30 -136.72 39.07 2.61 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 123.842 0.714 . . . . 0.0 112.47 -159.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.4 m -135.16 171.51 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 124.317 2.008 . . . . 0.0 113.178 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -51.54 131.74 29.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 119.243 -2.16 . . . . 0.0 115.495 161.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.0 t -133.09 147.09 52.16 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 113.731 -3.033 . . . . 0.0 111.552 144.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -132.51 146.23 51.76 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 127.945 2.498 . . . . 0.0 109.866 -169.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.04 124.98 22.5 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.268 -173.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -106.29 26.86 9.3 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 172.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -169.92 55.18 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 129.787 3.235 . . . . 0.0 114.222 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.5 m -133.81 -164.59 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 O-C-N 118.33 -2.731 . . . . 0.0 112.764 159.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -75.06 144.17 43.1 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.857 1.663 . . . . 0.0 114.471 -176.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.8 t -156.17 129.47 8.15 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 126.912 2.085 . . . . 0.0 108.032 160.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -141.68 171.23 14.34 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 115.101 -2.381 . . . . 0.0 111.351 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.22 148.0 32.39 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 124.719 1.262 . . . . 0.0 108.192 171.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . 0.442 ' HA ' ' HD3' ' A' ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . 0.442 ' HD3' ' HA ' ' A' ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . 0.317 72.1 m-20 -98.2 13.46 31.16 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 112.092 -3.813 . . . . 0.0 113.715 169.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 p30 -144.76 5.14 1.17 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 -158.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.66 -163.95 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 124.257 1.98 . . . . 0.0 114.773 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -69.93 139.47 52.91 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 129.204 3.001 . . . . 0.0 114.029 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t -144.61 132.1 20.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 110.921 -2.854 . . . . 0.0 111.19 170.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -110.06 148.69 31.22 Favored 'General case' 0 N--CA 1.448 -0.565 1 C-N-CA 133.19 4.596 . . . . 0.0 109.554 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -82.64 123.02 28.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 124.514 2.102 . . . . 0.0 108.032 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -95.41 9.05 41.37 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 116.158 -1.877 . . . . 0.0 114.231 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -132.77 2.45 3.72 Favored 'General case' 0 N--CA 1.443 -0.824 1 C-N-CA 131.844 4.057 . . . . 0.0 113.116 -170.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.403 ' HB ' ' H ' ' A' ' 7' ' ' TYR . 4.4 m -96.31 -167.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -173.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.403 ' H ' ' HB ' ' A' ' 6' ' ' VAL . 6.1 p90 -90.47 142.62 27.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 128.408 3.956 . . . . 0.0 111.846 175.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.0 t -139.2 136.92 35.53 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 110.66 -2.973 . . . . 0.0 105.321 171.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -131.7 160.83 34.33 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 127.09 2.744 . . . . 0.0 115.679 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -85.41 125.22 32.82 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 125.896 1.998 . . . . 0.0 113.287 173.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -134.97 14.65 3.58 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 129.241 3.016 . . . . 0.0 109.685 -155.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -151.69 27.51 0.64 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 129.878 3.271 . . . . 0.0 117.93 -164.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.7 m -109.53 -165.39 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-O 122.628 1.204 . . . . 0.0 113.916 171.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -57.56 150.33 19.28 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 112.995 -1.911 . . . . 0.0 115.437 174.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 t -140.83 114.04 8.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 115.301 -2.285 . . . . 0.0 108.612 155.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -84.57 159.44 20.66 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 112.357 -2.201 . . . . 0.0 109.059 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -98.18 144.0 28.1 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 113.845 -2.979 . . . . 0.0 109.865 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -124.72 19.94 8.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 103.833 -2.654 . . . . 0.0 103.833 -165.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -141.99 63.54 1.41 Allowed 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 125.655 1.582 . . . . 0.0 111.129 -172.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.251 0.0 OUTLIER -143.48 172.67 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 C-N-CA 130.368 3.467 . . . . 0.0 118.822 -177.325 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -73.01 151.02 41.94 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 125.731 2.681 . . . . 0.0 113.367 171.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 t -139.78 129.17 24.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 117.967 -2.958 . . . . 0.0 111.73 158.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -148.33 158.22 43.96 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.253 2.6 m-85 -71.24 122.51 20.35 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 -177.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -109.74 20.86 17.62 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 116.349 -1.786 . . . . 0.0 113.548 -163.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.6 p30 -151.69 14.4 0.65 Allowed 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 -177.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 m -108.59 -166.59 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 120.527 -1.358 . . . . 0.0 112.333 -175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -70.77 134.31 47.3 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.318 1.847 . . . . 0.0 113.028 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.7 t -143.36 131.05 21.33 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 116.634 -1.651 . . . . 0.0 115.406 155.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -140.68 161.79 36.94 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 128.564 2.746 . . . . 0.0 114.496 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -78.23 124.42 28.06 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 172.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -122.08 16.34 10.78 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 127.783 2.433 . . . . 0.0 113.659 168.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -118.38 -60.56 1.77 Allowed 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 126.724 2.01 . . . . 0.0 111.101 -172.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.5 m -138.24 -42.93 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 114.669 -2.586 . . . . 0.0 113.043 -167.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -148.16 162.28 39.75 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 126.948 2.655 . . . . 0.0 114.19 165.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -132.83 137.07 46.62 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 128.695 2.798 . . . . 0.0 109.901 150.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -123.9 153.26 41.4 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 117.16 -3.463 . . . . 0.0 113.88 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -78.97 130.75 35.9 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.761 -173.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -106.05 21.28 17.59 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 127.279 2.232 . . . . 0.0 116.213 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.283 1.0 OUTLIER 57.36 -175.55 0.07 Allowed 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 119.139 3.014 . . . . 0.0 119.139 160.072 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 m -134.64 -23.99 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 C-N-CA 128.01 2.524 . . . . 0.0 113.758 170.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -145.47 135.33 23.58 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 -165.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.0 t -141.13 140.79 34.17 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 127.622 2.369 . . . . 0.0 110.086 165.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -145.28 179.51 7.34 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 119.005 -2.309 . . . . 0.0 111.99 -175.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.6 135.2 36.52 Favored 'General case' 0 C--N 1.331 -0.203 1 O-C-N 114.237 -5.29 . . . . 0.0 116.73 -162.228 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -95.57 -1.21 50.93 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 131.115 3.766 . . . . 0.0 111.172 -174.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . 0.462 ' HB ' ' HD2' ' A' ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . 0.462 ' HD2' ' HB ' ' A' ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.267 0.6 OUTLIER 57.67 -168.53 0.12 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -179.656 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 m -135.82 -15.98 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 127.396 2.278 . . . . 0.0 115.345 159.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -99.11 150.49 21.98 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 130.21 3.404 . . . . 0.0 117.731 168.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 t -150.28 140.94 22.61 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 114.367 -2.73 . . . . 0.0 113.135 154.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -146.08 -177.78 5.78 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.539 1.935 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.75 141.87 46.29 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 126.145 2.879 . . . . 0.0 111.654 173.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -115.88 0.17 13.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 t70 39.63 -146.08 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 112.561 -2.109 . . . . 0.0 115.118 173.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.44 -12.16 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 O-C-N 117.723 -3.111 . . . . 0.0 111.507 174.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -103.63 121.37 42.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 123.658 2.935 . . . . 0.0 114.141 -169.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 t -144.7 119.83 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 120.98 -1.075 . . . . 0.0 112.764 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -135.53 168.94 18.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 127.595 2.358 . . . . 0.0 109.076 172.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.5 156.06 35.9 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 124.022 1.868 . . . . 0.0 113.232 160.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -91.17 11.46 23.24 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 115.248 1.574 . . . . 0.0 115.248 -170.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t0 63.62 -166.88 0.22 Allowed 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 126.623 2.452 . . . . 0.0 115.587 161.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.62 -21.36 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-O 114.554 -2.641 . . . . 0.0 106.886 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -126.86 153.36 45.8 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 122.777 2.535 . . . . 0.0 109.057 -174.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.9 t -144.04 131.03 20.46 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 126.872 2.069 . . . . 0.0 106.117 153.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -156.62 172.13 19.11 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 121.979 2.172 . . . . 0.0 112.791 -173.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.26 139.09 30.84 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 127.173 2.796 . . . . 0.0 112.32 -161.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -110.89 16.74 21.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 119.27 3.063 . . . . 0.0 119.27 169.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 40.93 -159.95 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 128.614 2.766 . . . . 0.0 117.065 169.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.324 15.7 m -149.21 -26.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 1 C-N-CA 132.048 4.139 . . . . 0.0 114.858 -179.075 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -117.99 169.2 9.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 117.574 -3.204 . . . . 0.0 114.995 163.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 t -148.34 131.6 16.49 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 129.881 3.272 . . . . 0.0 112.379 158.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.79 154.4 44.3 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 125.079 3.581 . . . . 0.0 110.02 -170.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.47 137.44 56.22 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 117.868 -3.02 . . . . 0.0 114.058 -172.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -83.74 -10.68 57.96 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 120.79 1.632 . . . . 0.0 114.979 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.79 -158.78 0.25 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 113.865 -1.516 . . . . 0.0 114.484 160.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.58 -38.53 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 128.502 2.721 . . . . 0.0 114.184 174.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -149.66 155.15 39.75 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -157.06 125.31 5.6 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 120.932 1.696 . . . . 0.0 107.737 -174.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -118.55 160.01 22.53 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 124.747 1.28 . . . . 0.0 111.471 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -94.22 137.09 33.79 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 125.715 1.884 . . . . 0.0 109.844 -161.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -107.74 33.03 4.28 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 125.586 1.555 . . . . 0.0 114.582 -171.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 t70 42.41 -159.35 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 110.501 -3.045 . . . . 0.0 113.506 169.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.0 -17.44 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 O-C-N 120.394 -1.441 . . . . 0.0 111.999 171.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -129.71 148.27 51.58 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 118.24 2.681 . . . . 0.0 118.24 -176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.5 t -147.39 128.81 14.91 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 125.943 2.027 . . . . 0.0 106.315 170.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -145.81 159.35 43.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 127.357 3.456 . . . . 0.0 110.458 -159.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.69 129.87 37.8 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 118.12 -2.862 . . . . 0.0 118.65 -167.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -89.99 -6.46 55.59 Favored 'General case' 0 N--CA 1.453 -0.314 1 C-N-CA 133.434 4.694 . . . . 0.0 110.228 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.251 0.2 OUTLIER 54.89 -171.99 0.06 Allowed 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 127.771 2.428 . . . . 0.0 113.205 165.053 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.8 m -131.49 -11.67 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 127.481 2.313 . . . . 0.0 115.473 162.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -134.25 152.84 52.03 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 116.75 2.13 . . . . 0.0 116.75 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.2 t -151.5 131.47 13.38 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 117.771 -3.08 . . . . 0.0 107.206 160.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -117.63 160.81 20.67 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 128.315 2.646 . . . . 0.0 110.533 -172.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.36 143.88 44.66 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 117.597 -3.189 . . . . 0.0 111.29 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . 0.417 7.6 m120 -125.81 26.45 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 126.68 2.488 . . . . 0.0 112.368 -176.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 49.44 -161.22 0.05 Allowed 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 118.054 2.612 . . . . 0.0 118.054 165.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 m -138.07 -27.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 131.091 3.756 . . . . 0.0 113.642 -174.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -141.25 139.26 33.7 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -165.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 t -144.87 137.84 26.56 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 127.948 2.499 . . . . 0.0 110.728 165.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -134.19 173.51 11.52 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 131.277 3.831 . . . . 0.0 116.829 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -77.68 130.34 36.69 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 126.004 2.811 . . . . 0.0 116.405 175.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . 0.4 ' HB ' ' HD2' ' A' ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . 0.4 ' HD2' ' HB ' ' A' ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . 0.26 28.8 m120 -99.88 -5.31 28.62 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 118.897 -2.377 . . . . 0.0 115.408 -176.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 t70 57.68 -164.95 0.17 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.876 2.07 . . . . 0.0 110.609 164.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.24 -21.76 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 C-N-CA 128.087 2.555 . . . . 0.0 113.147 175.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.332 0.4 OUTLIER -144.54 152.0 39.92 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 125.176 1.548 . . . . 0.0 115.028 177.857 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 t -146.91 128.3 14.91 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 114.675 -2.583 . . . . 0.0 108.277 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -147.54 142.99 27.47 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 117.773 -3.079 . . . . 0.0 112.302 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.21 135.66 57.79 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 120.718 -1.238 . . . . 0.0 109.876 170.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -91.39 5.42 49.4 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 120.242 -1.536 . . . . 0.0 115.015 -169.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.301 1.1 t70 57.73 -168.3 0.12 Allowed 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 125.285 1.615 . . . . 0.0 114.708 156.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 m -138.67 -22.16 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 121.205 3.78 . . . . 0.0 121.205 170.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -128.2 134.99 49.11 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 130.457 3.503 . . . . 0.0 119.912 -175.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 t -159.75 140.75 12.45 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 125.279 2.466 . . . . 0.0 107.046 170.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -127.46 161.15 29.4 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 125.093 1.357 . . . . 0.0 113.398 -158.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.366 0.4 OUTLIER -64.92 134.89 54.96 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 128.324 2.65 . . . . 0.0 112.633 -174.303 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.2 p30 . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 121.598 0.713 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 m -142.99 -179.13 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -72.01 149.38 45.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 O-C-N 124.23 0.956 . . . . 0.0 112.705 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--N 1.325 -0.462 0 C-N-CA 128.152 2.581 . . . . 0.0 109.631 175.197 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt . . . . . 0 N--CA 1.443 -0.777 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--O 1.224 -0.273 0 C-N-CA 124.788 1.235 . . . . 0.0 110.884 171.712 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.301 1.1 p30 . . . . . 0 N--CA 1.445 -0.677 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.4 m -135.16 171.51 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 124.317 2.008 . . . . 0.0 113.178 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -51.54 131.74 29.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 119.243 -2.16 . . . . 0.0 115.495 161.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.0 t . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 113.731 -3.033 . . . . 0.0 111.552 144.268 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.268 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 p30 . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 125.756 2.693 . . . . 0.0 114.222 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.5 m -133.81 -164.59 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 O-C-N 118.33 -2.731 . . . . 0.0 112.764 159.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -75.06 144.17 43.1 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.857 1.663 . . . . 0.0 114.471 -176.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.446 -0.654 0 C-N-CA 126.912 2.085 . . . . 0.0 108.032 160.648 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 115.101 -2.381 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 O-C-N 124.719 1.262 . . . . 0.0 108.192 171.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 p30 . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.66 -163.95 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 124.257 1.98 . . . . 0.0 114.773 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -69.93 139.47 52.91 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 129.204 3.001 . . . . 0.0 114.029 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 N--CA 1.443 -0.794 0 CA-C-N 110.921 -2.854 . . . . 0.0 111.19 170.418 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 118.233 -0.889 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 124.514 2.102 . . . . 0.0 108.032 173.75 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 . . . . . 0 N--CA 1.443 -0.824 0 CA-C-O 117.938 -1.03 . . . . 0.0 113.116 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.4 m -96.31 -167.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -90.47 142.62 27.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 128.408 3.956 . . . . 0.0 111.846 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.0 t . . . . . 0 N--CA 1.448 -0.553 0 CA-C-N 110.66 -2.973 . . . . 0.0 105.321 171.86 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mttm . . . . . 0 C--O 1.235 0.34 0 CA-C-O 115.303 -2.284 . . . . 0.0 115.679 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.447 -0.62 0 O-C-N 125.896 1.998 . . . . 0.0 113.287 173.243 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.1 p30 . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.406 ' HB ' ' H ' ' A' ' 7' ' ' TYR . 18.7 m -109.53 -165.39 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-O 122.628 1.204 . . . . 0.0 113.916 171.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.406 ' H ' ' HB ' ' A' ' 6' ' ' VAL . 6.6 p90 -57.56 150.33 19.28 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 112.995 -1.911 . . . . 0.0 115.437 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.449 -0.504 0 CA-C-O 115.301 -2.285 . . . . 0.0 108.612 155.483 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.446 -0.637 0 CA-C-O 117.549 -1.215 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 113.845 -2.979 . . . . 0.0 109.865 174.803 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.217 -0.613 0 CA-C-O 116.99 -1.481 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.251 0.0 OUTLIER -143.48 172.67 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 C-N-CA 130.368 3.467 . . . . 0.0 118.822 -177.325 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -73.01 151.02 41.94 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 125.731 2.681 . . . . 0.0 113.367 171.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.446 -0.657 0 O-C-N 117.967 -2.958 . . . . 0.0 111.73 158.909 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 pttp . . . . . 0 N--CA 1.445 -0.684 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.253 2.6 m-85 . . . . . 0 N--CA 1.444 -0.775 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.6 p30 . . . . . 0 C--O 1.226 -0.147 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 m -108.59 -166.59 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 120.527 -1.358 . . . . 0.0 112.333 -175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 12' ' ' TYR . 32.2 p90 -70.77 134.31 47.3 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.318 1.847 . . . . 0.0 113.028 -177.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 116.634 -1.651 . . . . 0.0 115.406 155.879 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.9 pttp . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 7' ' ' TYR . 3.8 m-85 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 172.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 . . . . . 0 N--CA 1.448 -0.57 0 CA-C-O 118.345 -0.836 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.5 m -138.24 -42.93 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 114.669 -2.586 . . . . 0.0 113.043 -167.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -148.16 162.28 39.75 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 126.948 2.655 . . . . 0.0 114.19 165.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.328 -0.366 0 C-N-CA 128.695 2.798 . . . . 0.0 109.901 150.723 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 pttm . . . . . 0 N--CA 1.443 -0.791 0 CA-C-O 122.931 1.348 . . . . 0.0 113.88 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.45 -0.433 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.761 -173.2 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.283 1.0 OUTLIER . . . . . 0 N--CA 1.441 -0.903 0 N-CA-C 119.139 3.014 . . . . 0.0 119.139 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 m -134.64 -23.99 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 C-N-CA 128.01 2.524 . . . . 0.0 113.758 170.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -145.47 135.33 23.58 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 -165.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.0 t . . . . . 0 N--CA 1.444 -0.762 0 C-N-CA 127.622 2.369 . . . . 0.0 110.086 165.225 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt . . . . . 0 N--CA 1.449 -0.523 0 CA-C-O 124.075 1.893 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.203 1 O-C-N 114.237 -5.29 . . . . 0.0 116.73 -162.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.267 0.6 OUTLIER . . . . . 0 N--CA 1.446 -0.671 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 m -135.82 -15.98 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 127.396 2.278 . . . . 0.0 115.345 159.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -99.11 150.49 21.98 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 130.21 3.404 . . . . 0.0 117.731 168.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 114.367 -2.73 . . . . 0.0 113.135 154.144 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 121.308 0.575 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.447 0 CA-C-O 126.145 2.879 . . . . 0.0 111.654 173.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.44 -12.16 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 O-C-N 117.723 -3.111 . . . . 0.0 111.507 174.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -103.63 121.37 42.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 123.658 2.935 . . . . 0.0 114.141 -169.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.33 -0.271 0 O-C-N 120.98 -1.075 . . . . 0.0 112.764 178.376 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 mttt . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 121.715 0.769 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 124.022 1.868 . . . . 0.0 113.232 160.399 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t0 . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.62 -21.36 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-O 114.554 -2.641 . . . . 0.0 106.886 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -126.86 153.36 45.8 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 122.777 2.535 . . . . 0.0 109.057 -174.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.441 -0.892 0 C-N-CA 126.872 2.069 . . . . 0.0 106.117 153.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 CA--C 1.518 -0.288 0 CA-C-O 116.699 -1.62 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 O-C-N 127.173 2.796 . . . . 0.0 112.32 -161.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.324 15.7 m -149.21 -26.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 1 C-N-CA 132.048 4.139 . . . . 0.0 114.858 -179.075 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -117.99 169.2 9.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 117.574 -3.204 . . . . 0.0 114.995 163.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 0 N--CA 1.445 -0.701 0 C-N-CA 129.881 3.272 . . . . 0.0 112.379 158.406 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 123.419 1.581 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.623 0 O-C-N 117.868 -3.02 . . . . 0.0 114.058 -172.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 122.814 1.293 . . . . 0.0 114.484 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.58 -38.53 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 128.502 2.721 . . . . 0.0 114.184 174.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -149.66 155.15 39.75 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.306 0 CA-C-N 120.932 1.696 . . . . 0.0 107.737 -174.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 N--CA 1.442 -0.851 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.619 0 O-C-N 125.715 1.884 . . . . 0.0 109.844 -161.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.449 -0.483 0 CA-C-O 122.692 1.234 . . . . 0.0 113.506 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.0 -17.44 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 O-C-N 120.394 -1.441 . . . . 0.0 111.999 171.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -129.71 148.27 51.58 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 118.24 2.681 . . . . 0.0 118.24 -176.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.452 -0.358 0 O-C-N 125.943 2.027 . . . . 0.0 106.315 170.624 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 127.357 3.456 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 O-C-N 118.12 -2.862 . . . . 0.0 118.65 -167.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.251 0.2 OUTLIER . . . . . 0 N--CA 1.444 -0.744 0 CA-C-O 123.099 1.428 . . . . 0.0 113.205 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.8 m -131.49 -11.67 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 127.481 2.313 . . . . 0.0 115.473 162.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -134.25 152.84 52.03 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 116.75 2.13 . . . . 0.0 116.75 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 N--CA 1.446 -0.667 0 O-C-N 117.771 -3.08 . . . . 0.0 107.206 160.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mptt . . . . . 0 C--O 1.217 -0.646 0 CA-C-O 123.537 1.637 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 O-C-N 117.597 -3.189 . . . . 0.0 111.29 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 118.054 2.612 . . . . 0.0 118.054 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 m -138.07 -27.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 131.091 3.756 . . . . 0.0 113.642 -174.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -141.25 139.26 33.7 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -165.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.449 -0.493 0 C-N-CA 127.948 2.499 . . . . 0.0 110.728 165.136 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.6 mttt . . . . . 0 N--CA 1.442 -0.827 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 N--CA 1.442 -0.85 0 CA-C-O 126.004 2.811 . . . . 0.0 116.405 175.542 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 121.34 0.59 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.24 -21.76 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 C-N-CA 128.087 2.555 . . . . 0.0 113.147 175.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.332 0.4 OUTLIER -144.54 152.0 39.92 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 125.176 1.548 . . . . 0.0 115.028 177.857 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 t . . . . . 0 N--CA 1.445 -0.681 0 CA-C-O 114.675 -2.583 . . . . 0.0 108.277 175.022 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.3 mttt . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 CA--C 1.514 -0.435 0 O-C-N 120.718 -1.238 . . . . 0.0 109.876 170.355 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.301 1.1 t70 . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 m -138.67 -22.16 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 121.205 3.78 . . . . 0.0 121.205 170.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -128.2 134.99 49.11 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 130.457 3.503 . . . . 0.0 119.912 -175.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 125.279 2.466 . . . . 0.0 107.046 170.509 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mttp . . . . . 0 CA--C 1.518 -0.261 0 CA-C-O 117.959 -1.02 . . . . 0.0 113.398 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.366 0.4 OUTLIER . . . . . 0 C--O 1.235 0.306 0 C-N-CA 128.324 2.65 . . . . 0.0 112.633 -174.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -95.11 45.95 1.11 Allowed 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 126.512 2.383 . . . . 0.0 110.532 175.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -151.22 44.17 0.79 Allowed 'General case' 0 N--CA 1.449 -0.486 1 C-N-CA 132.111 4.164 . . . . 0.0 111.226 -156.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 m -142.99 -179.13 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -72.01 149.38 45.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 O-C-N 124.23 0.956 . . . . 0.0 112.705 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t -156.55 127.78 6.98 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 128.152 2.581 . . . . 0.0 109.631 175.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -138.83 164.83 28.62 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 163.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.6 141.17 58.6 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 124.788 1.235 . . . . 0.0 110.884 171.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -124.14 34.99 4.92 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 123.815 3.007 . . . . 0.0 116.516 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.301 1.1 p30 -136.72 39.07 2.61 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 123.842 0.714 . . . . 0.0 112.47 -159.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.4 m -135.16 171.51 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 124.317 2.008 . . . . 0.0 113.178 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -51.54 131.74 29.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 119.243 -2.16 . . . . 0.0 115.495 161.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.0 t -133.09 147.09 52.16 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 113.731 -3.033 . . . . 0.0 111.552 144.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -132.51 146.23 51.76 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 127.945 2.498 . . . . 0.0 109.866 -169.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.04 124.98 22.5 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.268 -173.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -106.29 26.86 9.3 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 172.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -169.92 55.18 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 129.787 3.235 . . . . 0.0 114.222 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.5 m -133.81 -164.59 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 O-C-N 118.33 -2.731 . . . . 0.0 112.764 159.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -75.06 144.17 43.1 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.857 1.663 . . . . 0.0 114.471 -176.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.8 t -156.17 129.47 8.15 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 126.912 2.085 . . . . 0.0 108.032 160.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -141.68 171.23 14.34 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 115.101 -2.381 . . . . 0.0 111.351 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.22 148.0 32.39 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 124.719 1.262 . . . . 0.0 108.192 171.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . 0.317 72.1 m-20 -98.2 13.46 31.16 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 112.092 -3.813 . . . . 0.0 113.715 169.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 p30 -144.76 5.14 1.17 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 -158.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.66 -163.95 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 124.257 1.98 . . . . 0.0 114.773 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -69.93 139.47 52.91 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 129.204 3.001 . . . . 0.0 114.029 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t -144.61 132.1 20.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 110.921 -2.854 . . . . 0.0 111.19 170.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -110.06 148.69 31.22 Favored 'General case' 0 N--CA 1.448 -0.565 1 C-N-CA 133.19 4.596 . . . . 0.0 109.554 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -82.64 123.02 28.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 124.514 2.102 . . . . 0.0 108.032 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -95.41 9.05 41.37 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 116.158 -1.877 . . . . 0.0 114.231 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -132.77 2.45 3.72 Favored 'General case' 0 N--CA 1.443 -0.824 1 C-N-CA 131.844 4.057 . . . . 0.0 113.116 -170.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.4 m -96.31 -167.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -90.47 142.62 27.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 128.408 3.956 . . . . 0.0 111.846 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.0 t -139.2 136.92 35.53 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 110.66 -2.973 . . . . 0.0 105.321 171.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -131.7 160.83 34.33 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 127.09 2.744 . . . . 0.0 115.679 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -85.41 125.22 32.82 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 125.896 1.998 . . . . 0.0 113.287 173.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' DVA . . . . . 0.418 ' HA ' ' HD2' ' A' ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' DPR . . . . . 0.418 ' HD2' ' HA ' ' A' ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -134.97 14.65 3.58 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 129.241 3.016 . . . . 0.0 109.685 -155.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -151.69 27.51 0.64 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 129.878 3.271 . . . . 0.0 117.93 -164.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.406 ' HB ' ' H ' ' A' ' 7' ' ' TYR . 18.7 m -109.53 -165.39 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-O 122.628 1.204 . . . . 0.0 113.916 171.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.406 ' H ' ' HB ' ' A' ' 6' ' ' VAL . 6.6 p90 -57.56 150.33 19.28 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 112.995 -1.911 . . . . 0.0 115.437 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 t -140.83 114.04 8.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 115.301 -2.285 . . . . 0.0 108.612 155.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -84.57 159.44 20.66 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 112.357 -2.201 . . . . 0.0 109.059 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -98.18 144.0 28.1 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 113.845 -2.979 . . . . 0.0 109.865 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -124.72 19.94 8.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 103.833 -2.654 . . . . 0.0 103.833 -165.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -141.99 63.54 1.41 Allowed 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 125.655 1.582 . . . . 0.0 111.129 -172.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.251 0.0 OUTLIER -143.48 172.67 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 C-N-CA 130.368 3.467 . . . . 0.0 118.822 -177.325 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -73.01 151.02 41.94 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 125.731 2.681 . . . . 0.0 113.367 171.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 t -139.78 129.17 24.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 117.967 -2.958 . . . . 0.0 111.73 158.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -148.33 158.22 43.96 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.253 2.6 m-85 -71.24 122.51 20.35 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 -177.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -109.74 20.86 17.62 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 116.349 -1.786 . . . . 0.0 113.548 -163.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.6 p30 -151.69 14.4 0.65 Allowed 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 -177.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 m -108.59 -166.59 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 120.527 -1.358 . . . . 0.0 112.333 -175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 12' ' ' TYR . 32.2 p90 -70.77 134.31 47.3 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.318 1.847 . . . . 0.0 113.028 -177.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.7 t -143.36 131.05 21.33 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 116.634 -1.651 . . . . 0.0 115.406 155.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -140.68 161.79 36.94 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 128.564 2.746 . . . . 0.0 114.496 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 7' ' ' TYR . 3.8 m-85 -78.23 124.42 28.06 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 172.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -122.08 16.34 10.78 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 127.783 2.433 . . . . 0.0 113.659 168.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -118.38 -60.56 1.77 Allowed 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 126.724 2.01 . . . . 0.0 111.101 -172.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.5 m -138.24 -42.93 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 114.669 -2.586 . . . . 0.0 113.043 -167.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -148.16 162.28 39.75 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 126.948 2.655 . . . . 0.0 114.19 165.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -132.83 137.07 46.62 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 128.695 2.798 . . . . 0.0 109.901 150.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -123.9 153.26 41.4 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 117.16 -3.463 . . . . 0.0 113.88 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -78.97 130.75 35.9 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.761 -173.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -106.05 21.28 17.59 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 127.279 2.232 . . . . 0.0 116.213 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.283 1.0 OUTLIER 57.36 -175.55 0.07 Allowed 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 119.139 3.014 . . . . 0.0 119.139 160.072 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 m -134.64 -23.99 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 C-N-CA 128.01 2.524 . . . . 0.0 113.758 170.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -145.47 135.33 23.58 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 -165.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.0 t -141.13 140.79 34.17 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 127.622 2.369 . . . . 0.0 110.086 165.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -145.28 179.51 7.34 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 119.005 -2.309 . . . . 0.0 111.99 -175.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.6 135.2 36.52 Favored 'General case' 0 C--N 1.331 -0.203 1 O-C-N 114.237 -5.29 . . . . 0.0 116.73 -162.228 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -95.57 -1.21 50.93 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 131.115 3.766 . . . . 0.0 111.172 -174.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' DVA . . . . . 0.517 ' HB ' ' HD3' ' A' ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' DPR . . . . . 0.517 ' HD3' ' HB ' ' A' ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.267 0.6 OUTLIER 57.67 -168.53 0.12 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -179.656 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 m -135.82 -15.98 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 127.396 2.278 . . . . 0.0 115.345 159.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -99.11 150.49 21.98 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 130.21 3.404 . . . . 0.0 117.731 168.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 t -150.28 140.94 22.61 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 114.367 -2.73 . . . . 0.0 113.135 154.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -146.08 -177.78 5.78 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.539 1.935 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.75 141.87 46.29 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 126.145 2.879 . . . . 0.0 111.654 173.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -115.88 0.17 13.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 t70 39.63 -146.08 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 112.561 -2.109 . . . . 0.0 115.118 173.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.44 -12.16 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 O-C-N 117.723 -3.111 . . . . 0.0 111.507 174.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -103.63 121.37 42.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 123.658 2.935 . . . . 0.0 114.141 -169.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 t -144.7 119.83 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 120.98 -1.075 . . . . 0.0 112.764 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -135.53 168.94 18.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 127.595 2.358 . . . . 0.0 109.076 172.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.5 156.06 35.9 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 124.022 1.868 . . . . 0.0 113.232 160.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -91.17 11.46 23.24 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 115.248 1.574 . . . . 0.0 115.248 -170.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' DVA . . . . . 0.54 ' HB ' ' CD ' ' A' ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' DPR . . . . . 0.54 ' CD ' ' HB ' ' A' ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t0 63.62 -166.88 0.22 Allowed 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 126.623 2.452 . . . . 0.0 115.587 161.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.62 -21.36 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-O 114.554 -2.641 . . . . 0.0 106.886 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -126.86 153.36 45.8 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 122.777 2.535 . . . . 0.0 109.057 -174.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.9 t -144.04 131.03 20.46 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 126.872 2.069 . . . . 0.0 106.117 153.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -156.62 172.13 19.11 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 121.979 2.172 . . . . 0.0 112.791 -173.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.26 139.09 30.84 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 127.173 2.796 . . . . 0.0 112.32 -161.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -110.89 16.74 21.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 119.27 3.063 . . . . 0.0 119.27 169.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 40.93 -159.95 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 128.614 2.766 . . . . 0.0 117.065 169.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.324 15.7 m -149.21 -26.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 1 C-N-CA 132.048 4.139 . . . . 0.0 114.858 -179.075 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -117.99 169.2 9.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 117.574 -3.204 . . . . 0.0 114.995 163.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 t -148.34 131.6 16.49 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 129.881 3.272 . . . . 0.0 112.379 158.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.79 154.4 44.3 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 125.079 3.581 . . . . 0.0 110.02 -170.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.47 137.44 56.22 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 117.868 -3.02 . . . . 0.0 114.058 -172.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -83.74 -10.68 57.96 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 120.79 1.632 . . . . 0.0 114.979 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.79 -158.78 0.25 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 113.865 -1.516 . . . . 0.0 114.484 160.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.58 -38.53 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 128.502 2.721 . . . . 0.0 114.184 174.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -149.66 155.15 39.75 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -157.06 125.31 5.6 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 120.932 1.696 . . . . 0.0 107.737 -174.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -118.55 160.01 22.53 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 124.747 1.28 . . . . 0.0 111.471 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -94.22 137.09 33.79 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 125.715 1.884 . . . . 0.0 109.844 -161.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -107.74 33.03 4.28 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 125.586 1.555 . . . . 0.0 114.582 -171.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 t70 42.41 -159.35 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 110.501 -3.045 . . . . 0.0 113.506 169.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.0 -17.44 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 O-C-N 120.394 -1.441 . . . . 0.0 111.999 171.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -129.71 148.27 51.58 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 118.24 2.681 . . . . 0.0 118.24 -176.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.5 t -147.39 128.81 14.91 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 125.943 2.027 . . . . 0.0 106.315 170.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -145.81 159.35 43.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 127.357 3.456 . . . . 0.0 110.458 -159.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.69 129.87 37.8 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 118.12 -2.862 . . . . 0.0 118.65 -167.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -89.99 -6.46 55.59 Favored 'General case' 0 N--CA 1.453 -0.314 1 C-N-CA 133.434 4.694 . . . . 0.0 110.228 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.251 0.2 OUTLIER 54.89 -171.99 0.06 Allowed 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 127.771 2.428 . . . . 0.0 113.205 165.053 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.8 m -131.49 -11.67 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 127.481 2.313 . . . . 0.0 115.473 162.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -134.25 152.84 52.03 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 116.75 2.13 . . . . 0.0 116.75 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.2 t -151.5 131.47 13.38 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 117.771 -3.08 . . . . 0.0 107.206 160.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -117.63 160.81 20.67 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 128.315 2.646 . . . . 0.0 110.533 -172.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.36 143.88 44.66 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 117.597 -3.189 . . . . 0.0 111.29 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . 0.417 7.6 m120 -125.81 26.45 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 126.68 2.488 . . . . 0.0 112.368 -176.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 49.44 -161.22 0.05 Allowed 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 118.054 2.612 . . . . 0.0 118.054 165.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 m -138.07 -27.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 131.091 3.756 . . . . 0.0 113.642 -174.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -141.25 139.26 33.7 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -165.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 t -144.87 137.84 26.56 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 127.948 2.499 . . . . 0.0 110.728 165.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -134.19 173.51 11.52 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 131.277 3.831 . . . . 0.0 116.829 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -77.68 130.34 36.69 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 126.004 2.811 . . . . 0.0 116.405 175.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . 0.26 28.8 m120 -99.88 -5.31 28.62 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 118.897 -2.377 . . . . 0.0 115.408 -176.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 t70 57.68 -164.95 0.17 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.876 2.07 . . . . 0.0 110.609 164.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.24 -21.76 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 C-N-CA 128.087 2.555 . . . . 0.0 113.147 175.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.332 0.4 OUTLIER -144.54 152.0 39.92 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 125.176 1.548 . . . . 0.0 115.028 177.857 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 t -146.91 128.3 14.91 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 114.675 -2.583 . . . . 0.0 108.277 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -147.54 142.99 27.47 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 117.773 -3.079 . . . . 0.0 112.302 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.21 135.66 57.79 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 120.718 -1.238 . . . . 0.0 109.876 170.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -91.39 5.42 49.4 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 120.242 -1.536 . . . . 0.0 115.015 -169.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.301 1.1 t70 57.73 -168.3 0.12 Allowed 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 125.285 1.615 . . . . 0.0 114.708 156.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 m -138.67 -22.16 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 121.205 3.78 . . . . 0.0 121.205 170.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -128.2 134.99 49.11 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 130.457 3.503 . . . . 0.0 119.912 -175.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 t -159.75 140.75 12.45 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 125.279 2.466 . . . . 0.0 107.046 170.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -127.46 161.15 29.4 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 125.093 1.357 . . . . 0.0 113.398 -158.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.366 0.4 OUTLIER -64.92 134.89 54.96 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 128.324 2.65 . . . . 0.0 112.633 -174.303 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.2 p30 . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 121.598 0.713 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 m -142.99 -179.13 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -72.01 149.38 45.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 O-C-N 124.23 0.956 . . . . 0.0 112.705 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--N 1.325 -0.462 0 C-N-CA 128.152 2.581 . . . . 0.0 109.631 175.197 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt . . . . . 0 N--CA 1.443 -0.777 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--O 1.224 -0.273 0 C-N-CA 124.788 1.235 . . . . 0.0 110.884 171.712 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.301 1.1 p30 . . . . . 0 N--CA 1.445 -0.677 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.4 m -135.16 171.51 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 124.317 2.008 . . . . 0.0 113.178 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -51.54 131.74 29.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 119.243 -2.16 . . . . 0.0 115.495 161.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.0 t . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 113.731 -3.033 . . . . 0.0 111.552 144.268 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.268 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 p30 . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 125.756 2.693 . . . . 0.0 114.222 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.5 m -133.81 -164.59 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 O-C-N 118.33 -2.731 . . . . 0.0 112.764 159.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -75.06 144.17 43.1 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.857 1.663 . . . . 0.0 114.471 -176.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.446 -0.654 0 C-N-CA 126.912 2.085 . . . . 0.0 108.032 160.648 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 115.101 -2.381 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 O-C-N 124.719 1.262 . . . . 0.0 108.192 171.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 p30 . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.66 -163.95 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 124.257 1.98 . . . . 0.0 114.773 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -69.93 139.47 52.91 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 129.204 3.001 . . . . 0.0 114.029 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 N--CA 1.443 -0.794 0 CA-C-N 110.921 -2.854 . . . . 0.0 111.19 170.418 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp . . . . . 0 N--CA 1.448 -0.565 0 CA-C-O 118.233 -0.889 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 124.514 2.102 . . . . 0.0 108.032 173.75 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 . . . . . 0 N--CA 1.443 -0.824 0 CA-C-O 117.938 -1.03 . . . . 0.0 113.116 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.4 m -96.31 -167.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -90.47 142.62 27.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 128.408 3.956 . . . . 0.0 111.846 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.0 t . . . . . 0 N--CA 1.448 -0.553 0 CA-C-N 110.66 -2.973 . . . . 0.0 105.321 171.86 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mttm . . . . . 0 C--O 1.235 0.34 0 CA-C-O 115.303 -2.284 . . . . 0.0 115.679 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.447 -0.62 0 O-C-N 125.896 1.998 . . . . 0.0 113.287 173.243 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.1 p30 . . . . . 0 N--CA 1.451 -0.399 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.406 ' HB ' ' H ' ' A' ' 7' ' ' TYR . 18.7 m -109.53 -165.39 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-O 122.628 1.204 . . . . 0.0 113.916 171.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.406 ' H ' ' HB ' ' A' ' 6' ' ' VAL . 6.6 p90 -57.56 150.33 19.28 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 112.995 -1.911 . . . . 0.0 115.437 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.449 -0.504 0 CA-C-O 115.301 -2.285 . . . . 0.0 108.612 155.483 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.446 -0.637 0 CA-C-O 117.549 -1.215 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 113.845 -2.979 . . . . 0.0 109.865 174.803 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.217 -0.613 0 CA-C-O 116.99 -1.481 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.251 0.0 OUTLIER -143.48 172.67 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 C-N-CA 130.368 3.467 . . . . 0.0 118.822 -177.325 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -73.01 151.02 41.94 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 125.731 2.681 . . . . 0.0 113.367 171.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.446 -0.657 0 O-C-N 117.967 -2.958 . . . . 0.0 111.73 158.909 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 pttp . . . . . 0 N--CA 1.445 -0.684 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.253 2.6 m-85 . . . . . 0 N--CA 1.444 -0.775 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.6 p30 . . . . . 0 C--O 1.226 -0.147 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 m -108.59 -166.59 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 120.527 -1.358 . . . . 0.0 112.333 -175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 12' ' ' TYR . 32.2 p90 -70.77 134.31 47.3 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.318 1.847 . . . . 0.0 113.028 -177.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 116.634 -1.651 . . . . 0.0 115.406 155.879 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.9 pttp . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 7' ' ' TYR . 3.8 m-85 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 172.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 . . . . . 0 N--CA 1.448 -0.57 0 CA-C-O 118.345 -0.836 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.5 m -138.24 -42.93 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 114.669 -2.586 . . . . 0.0 113.043 -167.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -148.16 162.28 39.75 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 126.948 2.655 . . . . 0.0 114.19 165.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.328 -0.366 0 C-N-CA 128.695 2.798 . . . . 0.0 109.901 150.723 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 pttm . . . . . 0 N--CA 1.443 -0.791 0 CA-C-O 122.931 1.348 . . . . 0.0 113.88 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.45 -0.433 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.761 -173.2 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.283 1.0 OUTLIER . . . . . 0 N--CA 1.441 -0.903 0 N-CA-C 119.139 3.014 . . . . 0.0 119.139 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 m -134.64 -23.99 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 C-N-CA 128.01 2.524 . . . . 0.0 113.758 170.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -145.47 135.33 23.58 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 -165.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.0 t . . . . . 0 N--CA 1.444 -0.762 0 C-N-CA 127.622 2.369 . . . . 0.0 110.086 165.225 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt . . . . . 0 N--CA 1.449 -0.523 0 CA-C-O 124.075 1.893 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.203 1 O-C-N 114.237 -5.29 . . . . 0.0 116.73 -162.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.267 0.6 OUTLIER . . . . . 0 N--CA 1.446 -0.671 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 m -135.82 -15.98 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 127.396 2.278 . . . . 0.0 115.345 159.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -99.11 150.49 21.98 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 130.21 3.404 . . . . 0.0 117.731 168.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.446 -0.64 0 CA-C-O 114.367 -2.73 . . . . 0.0 113.135 154.144 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 121.308 0.575 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.447 0 CA-C-O 126.145 2.879 . . . . 0.0 111.654 173.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.44 -12.16 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 O-C-N 117.723 -3.111 . . . . 0.0 111.507 174.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -103.63 121.37 42.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 123.658 2.935 . . . . 0.0 114.141 -169.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.33 -0.271 0 O-C-N 120.98 -1.075 . . . . 0.0 112.764 178.376 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 mttt . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 121.715 0.769 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 124.022 1.868 . . . . 0.0 113.232 160.399 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t0 . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.62 -21.36 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-O 114.554 -2.641 . . . . 0.0 106.886 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -126.86 153.36 45.8 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 122.777 2.535 . . . . 0.0 109.057 -174.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.441 -0.892 0 C-N-CA 126.872 2.069 . . . . 0.0 106.117 153.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 CA--C 1.518 -0.288 0 CA-C-O 116.699 -1.62 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 O-C-N 127.173 2.796 . . . . 0.0 112.32 -161.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.324 15.7 m -149.21 -26.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 1 C-N-CA 132.048 4.139 . . . . 0.0 114.858 -179.075 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -117.99 169.2 9.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 117.574 -3.204 . . . . 0.0 114.995 163.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 0 N--CA 1.445 -0.701 0 C-N-CA 129.881 3.272 . . . . 0.0 112.379 158.406 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 123.419 1.581 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.623 0 O-C-N 117.868 -3.02 . . . . 0.0 114.058 -172.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 122.814 1.293 . . . . 0.0 114.484 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.58 -38.53 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 128.502 2.721 . . . . 0.0 114.184 174.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -149.66 155.15 39.75 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.306 0 CA-C-N 120.932 1.696 . . . . 0.0 107.737 -174.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.0 mttt . . . . . 0 N--CA 1.442 -0.851 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.619 0 O-C-N 125.715 1.884 . . . . 0.0 109.844 -161.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 N--CA 1.449 -0.483 0 CA-C-O 122.692 1.234 . . . . 0.0 113.506 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.0 -17.44 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 O-C-N 120.394 -1.441 . . . . 0.0 111.999 171.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -129.71 148.27 51.58 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 118.24 2.681 . . . . 0.0 118.24 -176.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.452 -0.358 0 O-C-N 125.943 2.027 . . . . 0.0 106.315 170.624 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 127.357 3.456 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 O-C-N 118.12 -2.862 . . . . 0.0 118.65 -167.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.251 0.2 OUTLIER . . . . . 0 N--CA 1.444 -0.744 0 CA-C-O 123.099 1.428 . . . . 0.0 113.205 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.8 m -131.49 -11.67 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 127.481 2.313 . . . . 0.0 115.473 162.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -134.25 152.84 52.03 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 116.75 2.13 . . . . 0.0 116.75 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 N--CA 1.446 -0.667 0 O-C-N 117.771 -3.08 . . . . 0.0 107.206 160.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mptt . . . . . 0 C--O 1.217 -0.646 0 CA-C-O 123.537 1.637 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 O-C-N 117.597 -3.189 . . . . 0.0 111.29 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 118.054 2.612 . . . . 0.0 118.054 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 m -138.07 -27.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 131.091 3.756 . . . . 0.0 113.642 -174.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -141.25 139.26 33.7 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -165.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.449 -0.493 0 C-N-CA 127.948 2.499 . . . . 0.0 110.728 165.136 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.6 mttt . . . . . 0 N--CA 1.442 -0.827 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 N--CA 1.442 -0.85 0 CA-C-O 126.004 2.811 . . . . 0.0 116.405 175.542 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 121.34 0.59 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.24 -21.76 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 C-N-CA 128.087 2.555 . . . . 0.0 113.147 175.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.332 0.4 OUTLIER -144.54 152.0 39.92 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 125.176 1.548 . . . . 0.0 115.028 177.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 t . . . . . 0 N--CA 1.445 -0.681 0 CA-C-O 114.675 -2.583 . . . . 0.0 108.277 175.022 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.3 mttt . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 CA--C 1.514 -0.435 0 O-C-N 120.718 -1.238 . . . . 0.0 109.876 170.355 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.301 1.1 t70 . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 m -138.67 -22.16 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 121.205 3.78 . . . . 0.0 121.205 170.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -128.2 134.99 49.11 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 130.457 3.503 . . . . 0.0 119.912 -175.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 125.279 2.466 . . . . 0.0 107.046 170.509 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mttp . . . . . 0 CA--C 1.518 -0.261 0 CA-C-O 117.959 -1.02 . . . . 0.0 113.398 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.366 0.4 OUTLIER . . . . . 0 C--O 1.235 0.306 0 C-N-CA 128.324 2.65 . . . . 0.0 112.633 -174.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -95.11 45.95 1.11 Allowed 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 126.512 2.383 . . . . 0.0 110.532 175.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -151.22 44.17 0.79 Allowed 'General case' 0 N--CA 1.449 -0.486 1 C-N-CA 132.111 4.164 . . . . 0.0 111.226 -156.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 m -142.99 -179.13 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -72.01 149.38 45.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 O-C-N 124.23 0.956 . . . . 0.0 112.705 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t -156.55 127.78 6.98 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 128.152 2.581 . . . . 0.0 109.631 175.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -138.83 164.83 28.62 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 163.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.6 141.17 58.6 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 124.788 1.235 . . . . 0.0 110.884 171.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -124.14 34.99 4.92 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 123.815 3.007 . . . . 0.0 116.516 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.301 1.1 p30 -136.72 39.07 2.61 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 123.842 0.714 . . . . 0.0 112.47 -159.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.4 m -135.16 171.51 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 124.317 2.008 . . . . 0.0 113.178 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -51.54 131.74 29.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 119.243 -2.16 . . . . 0.0 115.495 161.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.0 t -133.09 147.09 52.16 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 113.731 -3.033 . . . . 0.0 111.552 144.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -132.51 146.23 51.76 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 127.945 2.498 . . . . 0.0 109.866 -169.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.04 124.98 22.5 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.268 -173.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -106.29 26.86 9.3 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 172.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -169.92 55.18 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 129.787 3.235 . . . . 0.0 114.222 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.5 m -133.81 -164.59 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 O-C-N 118.33 -2.731 . . . . 0.0 112.764 159.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -75.06 144.17 43.1 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 125.857 1.663 . . . . 0.0 114.471 -176.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.8 t -156.17 129.47 8.15 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 126.912 2.085 . . . . 0.0 108.032 160.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -141.68 171.23 14.34 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 115.101 -2.381 . . . . 0.0 111.351 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.22 148.0 32.39 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 124.719 1.262 . . . . 0.0 108.192 171.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . 0.317 72.1 m-20 -98.2 13.46 31.16 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 112.092 -3.813 . . . . 0.0 113.715 169.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 p30 -144.76 5.14 1.17 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 -158.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.66 -163.95 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 124.257 1.98 . . . . 0.0 114.773 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -69.93 139.47 52.91 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 129.204 3.001 . . . . 0.0 114.029 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t -144.61 132.1 20.93 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 110.921 -2.854 . . . . 0.0 111.19 170.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -110.06 148.69 31.22 Favored 'General case' 0 N--CA 1.448 -0.565 1 C-N-CA 133.19 4.596 . . . . 0.0 109.554 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -82.64 123.02 28.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 124.514 2.102 . . . . 0.0 108.032 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -95.41 9.05 41.37 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 116.158 -1.877 . . . . 0.0 114.231 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -132.77 2.45 3.72 Favored 'General case' 0 N--CA 1.443 -0.824 1 C-N-CA 131.844 4.057 . . . . 0.0 113.116 -170.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.4 m -96.31 -167.83 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -173.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -90.47 142.62 27.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 128.408 3.956 . . . . 0.0 111.846 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.0 t -139.2 136.92 35.53 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 110.66 -2.973 . . . . 0.0 105.321 171.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -131.7 160.83 34.33 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 127.09 2.744 . . . . 0.0 115.679 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -85.41 125.22 32.82 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 125.896 1.998 . . . . 0.0 113.287 173.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . 0.418 ' HA ' ' HD2' ' A' ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . 0.418 ' HD2' ' HA ' ' A' ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -134.97 14.65 3.58 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 129.241 3.016 . . . . 0.0 109.685 -155.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -151.69 27.51 0.64 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 129.878 3.271 . . . . 0.0 117.93 -164.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.406 ' HB ' ' H ' ' A' ' 7' ' ' TYR . 18.7 m -109.53 -165.39 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-O 122.628 1.204 . . . . 0.0 113.916 171.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.406 ' H ' ' HB ' ' A' ' 6' ' ' VAL . 6.6 p90 -57.56 150.33 19.28 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 112.995 -1.911 . . . . 0.0 115.437 174.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 t -140.83 114.04 8.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 115.301 -2.285 . . . . 0.0 108.612 155.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -84.57 159.44 20.66 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 112.357 -2.201 . . . . 0.0 109.059 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -98.18 144.0 28.1 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 113.845 -2.979 . . . . 0.0 109.865 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -124.72 19.94 8.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 103.833 -2.654 . . . . 0.0 103.833 -165.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -141.99 63.54 1.41 Allowed 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 125.655 1.582 . . . . 0.0 111.129 -172.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.251 0.0 OUTLIER -143.48 172.67 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 C-N-CA 130.368 3.467 . . . . 0.0 118.822 -177.325 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -73.01 151.02 41.94 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 125.731 2.681 . . . . 0.0 113.367 171.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 t -139.78 129.17 24.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 117.967 -2.958 . . . . 0.0 111.73 158.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -148.33 158.22 43.96 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.253 2.6 m-85 -71.24 122.51 20.35 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 -177.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -109.74 20.86 17.62 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 116.349 -1.786 . . . . 0.0 113.548 -163.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 44.6 p30 -151.69 14.4 0.65 Allowed 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 -177.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 m -108.59 -166.59 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 120.527 -1.358 . . . . 0.0 112.333 -175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 12' ' ' TYR . 32.2 p90 -70.77 134.31 47.3 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 126.318 1.847 . . . . 0.0 113.028 -177.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.7 t -143.36 131.05 21.33 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 116.634 -1.651 . . . . 0.0 115.406 155.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -140.68 161.79 36.94 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 128.564 2.746 . . . . 0.0 114.496 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 7' ' ' TYR . 3.8 m-85 -78.23 124.42 28.06 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 172.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -122.08 16.34 10.78 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 127.783 2.433 . . . . 0.0 113.659 168.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -118.38 -60.56 1.77 Allowed 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 126.724 2.01 . . . . 0.0 111.101 -172.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.5 m -138.24 -42.93 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 114.669 -2.586 . . . . 0.0 113.043 -167.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -148.16 162.28 39.75 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 126.948 2.655 . . . . 0.0 114.19 165.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -132.83 137.07 46.62 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 128.695 2.798 . . . . 0.0 109.901 150.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -123.9 153.26 41.4 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 117.16 -3.463 . . . . 0.0 113.88 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -78.97 130.75 35.9 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.761 -173.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -106.05 21.28 17.59 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 127.279 2.232 . . . . 0.0 116.213 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.283 1.0 OUTLIER 57.36 -175.55 0.07 Allowed 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 119.139 3.014 . . . . 0.0 119.139 160.072 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 m -134.64 -23.99 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 C-N-CA 128.01 2.524 . . . . 0.0 113.758 170.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -145.47 135.33 23.58 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 -165.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.0 t -141.13 140.79 34.17 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 127.622 2.369 . . . . 0.0 110.086 165.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -145.28 179.51 7.34 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 119.005 -2.309 . . . . 0.0 111.99 -175.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.6 135.2 36.52 Favored 'General case' 0 C--N 1.331 -0.203 1 O-C-N 114.237 -5.29 . . . . 0.0 116.73 -162.228 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -95.57 -1.21 50.93 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 131.115 3.766 . . . . 0.0 111.172 -174.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . 0.517 ' HB ' ' HD3' ' A' ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . 0.517 ' HD3' ' HB ' ' A' ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.267 0.6 OUTLIER 57.67 -168.53 0.12 Allowed 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -179.656 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 m -135.82 -15.98 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 127.396 2.278 . . . . 0.0 115.345 159.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -99.11 150.49 21.98 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 130.21 3.404 . . . . 0.0 117.731 168.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 t -150.28 140.94 22.61 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 114.367 -2.73 . . . . 0.0 113.135 154.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -146.08 -177.78 5.78 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.539 1.935 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.75 141.87 46.29 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 126.145 2.879 . . . . 0.0 111.654 173.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -115.88 0.17 13.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 t70 39.63 -146.08 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 112.561 -2.109 . . . . 0.0 115.118 173.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -151.44 -12.16 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 O-C-N 117.723 -3.111 . . . . 0.0 111.507 174.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -103.63 121.37 42.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 123.658 2.935 . . . . 0.0 114.141 -169.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 t -144.7 119.83 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 120.98 -1.075 . . . . 0.0 112.764 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -135.53 168.94 18.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 127.595 2.358 . . . . 0.0 109.076 172.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -66.5 156.06 35.9 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 124.022 1.868 . . . . 0.0 113.232 160.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -91.17 11.46 23.24 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 115.248 1.574 . . . . 0.0 115.248 -170.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . 0.54 ' HB ' ' CD ' ' A' ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . 0.54 ' CD ' ' HB ' ' A' ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t0 63.62 -166.88 0.22 Allowed 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 126.623 2.452 . . . . 0.0 115.587 161.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.62 -21.36 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-O 114.554 -2.641 . . . . 0.0 106.886 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -126.86 153.36 45.8 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 122.777 2.535 . . . . 0.0 109.057 -174.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.9 t -144.04 131.03 20.46 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 126.872 2.069 . . . . 0.0 106.117 153.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -156.62 172.13 19.11 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 121.979 2.172 . . . . 0.0 112.791 -173.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.26 139.09 30.84 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 127.173 2.796 . . . . 0.0 112.32 -161.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -110.89 16.74 21.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 119.27 3.063 . . . . 0.0 119.27 169.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 40.93 -159.95 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 128.614 2.766 . . . . 0.0 117.065 169.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.324 15.7 m -149.21 -26.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 1 C-N-CA 132.048 4.139 . . . . 0.0 114.858 -179.075 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -117.99 169.2 9.85 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 117.574 -3.204 . . . . 0.0 114.995 163.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.1 t -148.34 131.6 16.49 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 129.881 3.272 . . . . 0.0 112.379 158.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.79 154.4 44.3 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 125.079 3.581 . . . . 0.0 110.02 -170.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.47 137.44 56.22 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 117.868 -3.02 . . . . 0.0 114.058 -172.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -83.74 -10.68 57.96 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 120.79 1.632 . . . . 0.0 114.979 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.79 -158.78 0.25 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 113.865 -1.516 . . . . 0.0 114.484 160.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.58 -38.53 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 128.502 2.721 . . . . 0.0 114.184 174.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -149.66 155.15 39.75 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -174.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -157.06 125.31 5.6 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 120.932 1.696 . . . . 0.0 107.737 -174.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -118.55 160.01 22.53 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 124.747 1.28 . . . . 0.0 111.471 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -94.22 137.09 33.79 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 125.715 1.884 . . . . 0.0 109.844 -161.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -107.74 33.03 4.28 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 125.586 1.555 . . . . 0.0 114.582 -171.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 t70 42.41 -159.35 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 110.501 -3.045 . . . . 0.0 113.506 169.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.0 -17.44 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 O-C-N 120.394 -1.441 . . . . 0.0 111.999 171.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -129.71 148.27 51.58 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 118.24 2.681 . . . . 0.0 118.24 -176.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.5 t -147.39 128.81 14.91 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 125.943 2.027 . . . . 0.0 106.315 170.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -145.81 159.35 43.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 127.357 3.456 . . . . 0.0 110.458 -159.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.69 129.87 37.8 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 118.12 -2.862 . . . . 0.0 118.65 -167.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -89.99 -6.46 55.59 Favored 'General case' 0 N--CA 1.453 -0.314 1 C-N-CA 133.434 4.694 . . . . 0.0 110.228 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.251 0.2 OUTLIER 54.89 -171.99 0.06 Allowed 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 127.771 2.428 . . . . 0.0 113.205 165.053 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.8 m -131.49 -11.67 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 C-N-CA 127.481 2.313 . . . . 0.0 115.473 162.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -134.25 152.84 52.03 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 116.75 2.13 . . . . 0.0 116.75 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.2 t -151.5 131.47 13.38 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 117.771 -3.08 . . . . 0.0 107.206 160.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -117.63 160.81 20.67 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 128.315 2.646 . . . . 0.0 110.533 -172.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.36 143.88 44.66 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 117.597 -3.189 . . . . 0.0 111.29 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . 0.417 7.6 m120 -125.81 26.45 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 126.68 2.488 . . . . 0.0 112.368 -176.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 49.44 -161.22 0.05 Allowed 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 118.054 2.612 . . . . 0.0 118.054 165.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 m -138.07 -27.17 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 131.091 3.756 . . . . 0.0 113.642 -174.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -141.25 139.26 33.7 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -165.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 t -144.87 137.84 26.56 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 127.948 2.499 . . . . 0.0 110.728 165.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -134.19 173.51 11.52 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 131.277 3.831 . . . . 0.0 116.829 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -77.68 130.34 36.69 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 126.004 2.811 . . . . 0.0 116.405 175.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . 0.26 28.8 m120 -99.88 -5.31 28.62 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 118.897 -2.377 . . . . 0.0 115.408 -176.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 t70 57.68 -164.95 0.17 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.876 2.07 . . . . 0.0 110.609 164.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.24 -21.76 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 C-N-CA 128.087 2.555 . . . . 0.0 113.147 175.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.332 0.4 OUTLIER -144.54 152.0 39.92 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 125.176 1.548 . . . . 0.0 115.028 177.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.0 t -146.91 128.3 14.91 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 114.675 -2.583 . . . . 0.0 108.277 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -147.54 142.99 27.47 Favored 'General case' 0 N--CA 1.446 -0.655 0 O-C-N 117.773 -3.079 . . . . 0.0 112.302 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.21 135.66 57.79 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 120.718 -1.238 . . . . 0.0 109.876 170.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -91.39 5.42 49.4 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 120.242 -1.536 . . . . 0.0 115.015 -169.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.301 1.1 t70 57.73 -168.3 0.12 Allowed 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 125.285 1.615 . . . . 0.0 114.708 156.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 m -138.67 -22.16 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 121.205 3.78 . . . . 0.0 121.205 170.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -128.2 134.99 49.11 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 130.457 3.503 . . . . 0.0 119.912 -175.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 t -159.75 140.75 12.45 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 125.279 2.466 . . . . 0.0 107.046 170.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -127.46 161.15 29.4 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 125.093 1.357 . . . . 0.0 113.398 -158.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . 0.366 0.4 OUTLIER -64.92 134.89 54.96 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 128.324 2.65 . . . . 0.0 112.633 -174.303 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_