data_1rkk_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 1rkk _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 34.1 m-85 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.169 0.509 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 57.86 105.72 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.316 -0.865 . . . . 0.0 110.238 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 37.3 t -153.84 114.64 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.318 -0.863 . . . . 0.0 110.172 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 4.3 m . . . . . 0 N--CA 1.494 1.775 0 O-C-N 121.218 -0.926 . . . . 0.0 110.366 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.31 0.576 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -111.02 133.9 53.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.168 -0.958 . . . . 0.0 110.269 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.47 ' C ' ' CD ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -80.83 166.2 21.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.85 . . . . 0.0 110.278 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.534 ' N ' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -175.34 79.02 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.219 -0.926 . . . . 0.0 110.683 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.24 112.62 13.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.035 . . . . 0.0 110.25 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.493 1.708 0 O-C-N 121.266 -0.896 . . . . 0.0 110.072 179.886 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 7' ' ' VAL . 30.4 m-85 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.306 0.574 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -48.17 121.54 4.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.346 -0.847 . . . . 0.0 110.25 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.479 ' HB ' ' CZ ' ' A' ' 14' ' ' TYR . 53.5 t -135.39 102.47 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.233 -0.917 . . . . 0.0 110.245 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 34.2 m . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.255 -0.903 . . . . 0.0 110.254 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.234 0.54 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 74.6 m -111.0 131.42 55.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 110.03 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 7' ' ' VAL . 46.9 p90 -143.13 169.65 17.19 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.177 -0.952 . . . . 0.0 110.389 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.14 118.36 18.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.878 . . . . 0.0 110.096 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 177.83 130.3 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.254 -0.903 . . . . 0.0 110.213 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.321 -0.862 . . . . 0.0 110.114 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 46.2 m-85 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.257 0.551 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 3.3 ttm-85 -177.79 102.14 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.403 -0.81 . . . . 0.0 109.892 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.578 ' HB ' ' CZ ' ' A' ' 14' ' ' TYR . 60.4 t -139.56 109.28 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.264 -0.897 . . . . 0.0 110.376 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.505 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 14.2 m . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.335 -0.853 . . . . 0.0 110.202 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.272 0.558 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -98.58 136.12 39.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.235 -0.916 . . . . 0.0 110.324 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 7' ' ' VAL . 31.6 p90 -128.71 -160.97 1.07 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.4 -0.812 . . . . 0.0 110.277 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 mpp_? -126.6 117.17 22.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.257 -0.902 . . . . 0.0 110.276 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 133.91 1.04 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.304 -0.872 . . . . 0.0 110.169 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.267 -0.896 . . . . 0.0 110.147 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.248 0.547 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.21 96.8 2.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.275 -0.891 . . . . 0.0 110.236 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.6 t -137.39 103.23 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.266 -0.896 . . . . 0.0 110.097 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 8.8 m . . . . . 0 N--CA 1.495 1.799 0 O-C-N 121.264 -0.898 . . . . 0.0 110.287 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.229 0.537 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -101.46 133.17 46.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.277 -0.889 . . . . 0.0 110.229 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.52 117.09 4.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.865 . . . . 0.0 110.311 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.51 74.96 1.48 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 110.152 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.5 102.83 4.42 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.221 -0.924 . . . . 0.0 109.998 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.366 -0.834 . . . . 0.0 110.223 -179.768 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.41 ' C ' ' HA ' ' A' ' 15' ' ' ARG . 4.2 m-30 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.29 0.567 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 12.7 ttt-85 -48.87 103.93 0.05 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 110.371 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.51 ' O ' ' CG1' ' A' ' 7' ' ' VAL . 13.2 p -120.91 99.23 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.249 -0.907 . . . . 0.0 110.032 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 27.9 m . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.276 -0.89 . . . . 0.0 110.625 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.42 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 18.3 m-85 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.394 0.616 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 80.7 m -92.54 128.56 38.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.368 -0.833 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.55 171.27 13.63 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.36 -0.837 . . . . 0.0 110.318 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.41 ' HA ' ' C ' ' A' ' 5' ' ' PHE . 0.4 OUTLIER -136.12 92.01 2.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.321 -0.862 . . . . 0.0 110.177 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -166.96 129.73 1.78 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.278 -0.889 . . . . 0.0 110.217 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.0 t . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.248 -0.907 . . . . 0.0 110.291 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.254 0.55 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.4 ' C ' HG21 ' A' ' 7' ' ' VAL . 0.0 OUTLIER 62.56 81.97 0.19 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.142 -0.974 . . . . 0.0 110.201 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 57.6 t -149.18 109.55 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.156 -0.965 . . . . 0.0 110.197 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.272 -0.893 . . . . 0.0 110.221 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.266 0.555 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 93.3 m -113.09 144.92 41.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.27 -0.894 . . . . 0.0 110.31 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.55 145.3 39.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.555 -0.716 . . . . 0.0 110.435 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.515 ' HD3' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -162.14 137.84 7.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.32 -0.862 . . . . 0.0 109.895 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 170.75 128.56 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.109 -0.994 . . . . 0.0 110.116 -179.722 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.209 -0.932 . . . . 0.0 110.304 -179.932 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.341 0.591 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -54.98 137.3 46.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.0 110.203 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 21.1 t -134.98 105.44 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -0.852 . . . . 0.0 110.115 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 3.4 m . . . . . 0 N--CA 1.495 1.786 0 O-C-N 121.362 -0.836 . . . . 0.0 110.239 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.319 0.581 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -115.26 135.56 54.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.214 -0.929 . . . . 0.0 110.371 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 36.5 p90 -147.96 -167.96 2.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.381 -0.824 . . . . 0.0 110.241 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.511 ' HD3' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -163.09 141.52 8.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.283 -0.886 . . . . 0.0 109.959 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -88.44 119.64 29.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.244 -0.91 . . . . 0.0 110.333 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.326 -0.859 . . . . 0.0 110.224 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.47 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 11.3 m-85 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 121.127 0.489 . . . . 0.0 109.85 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.526 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 2.9 ttt180 -154.09 -37.7 0.1 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.229 -0.919 . . . . 0.0 110.548 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 6' ' ' ARG . 70.7 t -157.11 108.32 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.931 . . . . 0.0 110.601 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.535 ' HA ' ' CB ' ' A' ' 13' ' ' CYS . 15.8 m . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.294 -0.879 . . . . 0.0 110.123 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.251 0.548 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.535 ' CB ' ' HA ' ' A' ' 8' ' ' CYS . 23.5 t -124.82 147.52 48.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.327 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -50.31 156.69 0.8 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.946 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 14' ' ' TYR . 26.4 mtt-85 -141.85 83.53 1.85 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.206 -0.934 . . . . 0.0 110.283 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 17' ' ' CYS . 3.8 ttmm -133.26 111.44 10.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 5.6 p . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.361 -0.837 . . . . 0.0 110.124 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 40.3 m-85 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.287 0.565 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.484 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 2.6 ttp180 -152.11 134.71 15.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.89 . . . . 0.0 110.157 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 6' ' ' ARG . 86.2 t -155.87 103.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.208 -0.933 . . . . 0.0 110.242 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 53.7 m . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.331 -0.855 . . . . 0.0 110.241 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.302 0.572 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 100.0 m -100.79 145.96 27.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.131 -0.98 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.462 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -99.42 160.9 13.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.474 -0.766 . . . . 0.0 110.581 -179.695 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -178.5 145.95 0.34 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.45 -0.781 . . . . 0.0 109.894 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -176.44 122.17 0.16 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.182 -0.949 . . . . 0.0 110.244 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.206 0.526 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.473 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 8.5 ttp180 -176.98 101.02 0.05 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.255 -0.903 . . . . 0.0 110.311 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 6' ' ' ARG . 38.7 t -157.08 94.61 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 110.143 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 39.5 m . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.196 -0.94 . . . . 0.0 110.328 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.244 0.545 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 91.8 m -117.88 134.4 54.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.253 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.71 122.0 19.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.315 -0.865 . . . . 0.0 110.253 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.99 76.07 1.22 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.307 -0.871 . . . . 0.0 110.216 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -118.41 115.07 23.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 0.0 110.245 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 6.1 p . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.281 -0.887 . . . . 0.0 110.185 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.359 0.6 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.93 114.93 26.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.216 -0.927 . . . . 0.0 110.171 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 t -146.39 109.7 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -0.928 . . . . 0.0 110.16 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.231 -0.918 . . . . 0.0 110.239 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.31 0.576 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 84.3 m -109.71 135.06 51.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.248 -0.907 . . . . 0.0 110.184 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.52 128.67 38.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 110.324 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.528 ' O ' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -150.04 94.97 2.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.254 -0.904 . . . . 0.0 110.011 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.13 123.45 18.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.925 . . . . 0.0 110.191 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.3 -0.875 . . . . 0.0 110.198 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.235 0.54 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -165.13 77.2 0.29 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.231 -0.918 . . . . 0.0 110.347 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.4 92.71 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 110.228 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 3.9 m . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.326 -0.859 . . . . 0.0 110.394 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.379 0.609 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -96.03 136.28 36.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.309 -0.869 . . . . 0.0 110.362 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.464 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -70.86 124.24 23.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.448 -0.782 . . . . 0.0 110.45 -179.751 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.464 ' HD2' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -146.45 95.51 2.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 0.0 110.148 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.3 124.2 12.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 0.0 110.244 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.4 m . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.325 -0.859 . . . . 0.0 110.144 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.454 ' O ' HG22 ' A' ' 7' ' ' VAL . 41.1 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.205 0.526 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 12.0 ptt85 -49.76 141.42 10.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 109.946 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.581 ' HB ' ' CE2' ' A' ' 14' ' ' TYR . 25.2 t -158.25 118.51 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.111 -0.993 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 7.3 m . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 0.0 110.321 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.379 0.609 . . . . 0.0 110.145 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 82.5 m -105.01 133.28 50.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.847 . . . . 0.0 110.456 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.581 ' CE2' ' HB ' ' A' ' 7' ' ' VAL . 1.1 p90 -138.01 120.53 16.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.234 -0.916 . . . . 0.0 110.318 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.514 ' CD ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -128.02 114.52 17.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.45 -0.781 . . . . 0.0 110.076 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 12.4 tttp -85.19 116.05 23.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.247 -0.908 . . . . 0.0 110.275 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.514 ' SG ' ' CD ' ' A' ' 15' ' ' ARG . 71.3 m . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.254 -0.904 . . . . 0.0 110.246 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.418 ' HB2' ' HB3' ' A' ' 14' ' ' TYR . 83.9 m-85 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.27 0.557 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -164.14 77.24 0.36 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 0.0 110.221 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.72 103.55 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.169 -0.957 . . . . 0.0 110.28 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 7.7 m . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.201 -0.937 . . . . 0.0 110.189 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.202 0.525 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -105.33 137.38 43.22 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.257 -0.902 . . . . 0.0 110.229 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.418 ' HB3' ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -58.3 124.92 21.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 110.225 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.01 72.86 0.85 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.888 . . . . 0.0 110.276 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 17' ' ' CYS . 0.2 OUTLIER -129.51 114.58 16.28 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 110.202 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 20.6 p . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.19 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 14.0 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.229 0.538 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 10.4 ttp180 -179.7 80.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.215 -0.928 . . . . 0.0 110.265 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.5 t -121.27 98.27 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.0 110.168 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 14.8 m . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.222 -0.924 . . . . 0.0 110.307 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.223 0.535 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -103.16 137.62 41.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.902 . . . . 0.0 110.368 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 140.87 56.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.313 -0.867 . . . . 0.0 110.086 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.8 77.84 1.39 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 110.252 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -120.49 106.5 11.87 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.211 -0.931 . . . . 0.0 110.134 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.346 -0.846 . . . . 0.0 110.147 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 3.2 p90 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.189 0.518 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 51.5 ttt180 -177.86 -30.05 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.296 -0.877 . . . . 0.0 110.517 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 64.4 t -153.02 115.8 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.166 -0.959 . . . . 0.0 110.336 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 4.2 m . . . . . 0 N--CA 1.493 1.706 0 O-C-N 121.321 -0.862 . . . . 0.0 110.414 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.274 0.559 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 94.2 m -100.64 139.19 36.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.253 -0.905 . . . . 0.0 110.174 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -56.42 169.34 0.45 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.411 -0.806 . . . . 0.0 110.247 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.507 ' O ' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -129.0 77.39 1.79 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.907 . . . . 0.0 110.105 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -132.09 113.47 13.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 0.0 110.198 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.2 m . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 110.269 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.528 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 59.4 m-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.079 0.466 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.528 ' CG ' ' O ' ' A' ' 5' ' ' PHE . 14.8 ptt-85 36.55 61.31 0.84 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.644 -0.66 . . . . 0.0 110.723 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.17 93.33 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.885 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HA ' ' CB ' ' A' ' 13' ' ' CYS . 12.1 m . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 110.286 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.223 0.535 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.52 ' CB ' ' HA ' ' A' ' 8' ' ' CYS . 28.5 t -128.06 140.74 51.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.309 -0.87 . . . . 0.0 110.205 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -97.49 92.26 5.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.427 -0.796 . . . . 0.0 110.309 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -107.92 81.83 1.56 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.362 -0.836 . . . . 0.0 110.129 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -121.16 122.96 41.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.254 -0.904 . . . . 0.0 110.251 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.274 -0.891 . . . . 0.0 110.23 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.246 0.546 . . . . 0.0 110.173 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.574 ' HB3' ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER 62.92 136.63 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.0 110.229 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 2' ' ' ARG . 3.7 m-90 39.67 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.42 -0.8 . . . . 0.0 110.486 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.457 ' O ' ' O ' ' A' ' 3' ' ' TRP . 0.8 OUTLIER 60.73 133.69 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.243 -0.911 . . . . 0.0 110.032 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 34.1 m-85 -97.61 -48.59 5.19 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.321 -0.862 . . . . 0.0 110.246 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 57.86 105.72 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.316 -0.865 . . . . 0.0 110.238 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 37.3 t -153.84 114.64 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.318 -0.863 . . . . 0.0 110.172 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 4.3 m -86.22 123.07 31.08 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.218 -0.926 . . . . 0.0 110.366 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.462 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -98.79 44.06 1.04 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.345 -0.847 . . . . 0.0 110.105 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 20.0 mtt85 58.61 45.89 15.46 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.237 -0.914 . . . . 0.0 110.294 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.75 -41.87 0.68 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.73 125.88 40.79 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.199 -1.177 . . . . 0.0 110.226 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -111.02 133.9 53.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.168 -0.958 . . . . 0.0 110.269 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.47 ' C ' ' CD ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -80.83 166.2 21.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.85 . . . . 0.0 110.278 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.534 ' N ' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -175.34 79.02 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.219 -0.926 . . . . 0.0 110.683 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.24 112.62 13.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.035 . . . . 0.0 110.25 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.02 136.8 33.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.266 -0.896 . . . . 0.0 110.072 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -175.15 97.25 0.08 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.241 -0.912 . . . . 0.0 110.227 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.821 -1.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.471 ' O ' ' HB3' ' A' ' 2' ' ' ARG . 5.7 ttm180 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.231 0.538 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.471 ' HB3' ' O ' ' A' ' 1' ' ' ARG . 1.7 ptt180 -178.06 167.37 2.01 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.249 -0.907 . . . . 0.0 110.479 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.422 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 7.1 p90 -119.63 90.9 3.42 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.701 -0.624 . . . . 0.0 110.069 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.445 ' O ' ' O ' ' A' ' 5' ' ' PHE . 5.9 t -176.89 141.26 0.35 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.224 -0.923 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 7' ' ' VAL . 30.4 m-85 43.29 -167.58 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.479 -0.763 . . . . 0.0 110.326 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -48.17 121.54 4.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.346 -0.847 . . . . 0.0 110.25 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.479 ' HB ' ' CZ ' ' A' ' 14' ' ' TYR . 53.5 t -135.39 102.47 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.233 -0.917 . . . . 0.0 110.245 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 34.2 m -87.33 111.77 21.41 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.255 -0.903 . . . . 0.0 110.254 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -88.74 47.88 1.56 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.345 -0.847 . . . . 0.0 110.198 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 2.8 mtm180 56.11 48.73 16.96 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.311 -0.868 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.07 -42.98 0.68 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.53 125.06 44.96 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.153 -1.204 . . . . 0.0 110.415 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 74.6 m -111.0 131.42 55.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 110.03 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 7' ' ' VAL . 46.9 p90 -143.13 169.65 17.19 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.177 -0.952 . . . . 0.0 110.389 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.14 118.36 18.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.878 . . . . 0.0 110.096 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 177.83 130.3 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.254 -0.903 . . . . 0.0 110.213 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -122.33 127.6 50.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.321 -0.862 . . . . 0.0 110.114 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -75.88 -173.47 2.29 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.263 -0.898 . . . . 0.0 110.206 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.942 -1.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.471 ' O ' ' HB3' ' A' ' 2' ' ' ARG . 4.9 ttp85 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.172 0.51 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.471 ' HB3' ' O ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -178.15 148.46 0.5 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.327 -0.858 . . . . 0.0 110.257 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' ARG . 5.1 m95 43.89 85.15 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 0.0 110.098 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 4.3 t -171.86 141.22 1.36 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.225 -0.922 . . . . 0.0 110.328 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 46.2 m-85 55.51 18.27 2.62 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.419 -0.801 . . . . 0.0 110.056 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 3.3 ttm-85 -177.79 102.14 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.403 -0.81 . . . . 0.0 109.892 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.578 ' HB ' ' CZ ' ' A' ' 14' ' ' TYR . 60.4 t -139.56 109.28 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.264 -0.897 . . . . 0.0 110.376 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.505 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 14.2 m -82.47 114.85 21.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.335 -0.853 . . . . 0.0 110.202 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.424 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -90.39 43.33 1.14 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.408 -0.808 . . . . 0.0 110.147 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER 58.71 50.2 9.17 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.241 -0.912 . . . . 0.0 110.189 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.96 -50.9 0.31 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.99 134.63 31.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.284 -1.127 . . . . 0.0 110.138 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -98.58 136.12 39.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.235 -0.916 . . . . 0.0 110.324 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 7' ' ' VAL . 31.6 p90 -128.71 -160.97 1.07 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.4 -0.812 . . . . 0.0 110.277 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 mpp_? -126.6 117.17 22.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.257 -0.902 . . . . 0.0 110.276 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 133.91 1.04 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.304 -0.872 . . . . 0.0 110.169 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.83 105.43 17.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.267 -0.896 . . . . 0.0 110.147 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -134.74 107.34 7.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.256 -0.902 . . . . 0.0 110.156 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.188 0.518 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.645 ' CB ' ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -147.38 156.69 43.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.301 -0.875 . . . . 0.0 110.176 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.645 ' CE3' ' CB ' ' A' ' 2' ' ' ARG . 4.1 m-90 53.59 118.82 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.983 0 CA-C-O 121.598 0.713 . . . . 0.0 111.051 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.531 ' CB ' ' HA ' ' A' ' 17' ' ' CYS . 3.0 t -72.43 138.83 47.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.178 -0.952 . . . . 0.0 110.065 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.546 ' CZ ' ' HB2' ' A' ' 3' ' ' TRP . 53.4 m-85 -120.49 175.43 5.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.411 -0.806 . . . . 0.0 110.202 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.21 96.8 2.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.275 -0.891 . . . . 0.0 110.236 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.6 t -137.39 103.23 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.266 -0.896 . . . . 0.0 110.097 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 8.8 m -75.78 126.07 30.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.264 -0.898 . . . . 0.0 110.287 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.455 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 24.8 t80 -105.59 34.55 3.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.337 -0.852 . . . . 0.0 110.064 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER 66.5 46.5 1.87 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 0.0 110.198 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.96 -48.96 0.45 Allowed Glycine 0 N--CA 1.489 2.179 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -128.27 119.54 25.36 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.301 -1.117 . . . . 0.0 110.195 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -101.46 133.17 46.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.277 -0.889 . . . . 0.0 110.229 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.52 117.09 4.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.865 . . . . 0.0 110.311 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.51 74.96 1.48 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 110.152 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.5 102.83 4.42 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.221 -0.924 . . . . 0.0 109.998 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.531 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 13.3 m -88.57 134.73 33.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.366 -0.834 . . . . 0.0 110.223 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 3' ' ' TRP . 12.3 mtt180 -156.4 147.67 22.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 0.0 110.192 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.877 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.571 ' HA ' ' CZ2' ' A' ' 3' ' ' TRP . 10.8 mtt-85 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.285 0.564 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.17 111.61 0.21 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.286 -0.884 . . . . 0.0 110.205 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.571 ' CZ2' ' HA ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER -130.77 97.31 4.31 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.398 -0.814 . . . . 0.0 110.16 -179.538 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 3.6 m -158.64 118.34 3.16 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 0.0 109.957 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.448 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 4.2 m-30 56.66 -164.11 0.16 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.335 -0.853 . . . . 0.0 110.14 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 12.7 ttt-85 -48.87 103.93 0.05 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 110.371 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.51 ' O ' ' CG1' ' A' ' 7' ' ' VAL . 13.2 p -120.91 99.23 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.249 -0.907 . . . . 0.0 110.032 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 27.9 m -87.91 114.97 25.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.276 -0.89 . . . . 0.0 110.625 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -128.4 100.82 5.94 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.41 -0.806 . . . . 0.0 110.115 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 21.1 mtt180 64.13 36.77 9.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.336 -0.852 . . . . 0.0 110.687 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.81 76.71 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.42 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 18.3 m-85 -95.54 89.11 5.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.099 -1.236 . . . . 0.0 110.307 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 80.7 m -92.54 128.56 38.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.368 -0.833 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.55 171.27 13.63 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.36 -0.837 . . . . 0.0 110.318 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.41 ' HA ' ' C ' ' A' ' 5' ' ' PHE . 0.4 OUTLIER -136.12 92.01 2.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.321 -0.862 . . . . 0.0 110.177 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 11.5 tttp -166.96 129.73 1.78 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.278 -0.889 . . . . 0.0 110.217 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 37.0 t -132.54 149.19 52.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.248 -0.907 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 19' ' ' NH2 . 30.1 ttt85 -131.79 159.48 38.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 110.253 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.467 ' N ' ' HG2' ' A' ' 18' ' ' ARG . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.229 0.538 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 3' ' ' TRP . 36.6 mtm-85 -137.76 123.39 19.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 0.0 110.225 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.469 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 6.3 m95 59.34 115.01 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.24 -0.913 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 3' ' ' TRP . 72.5 m 56.79 113.36 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.363 -0.835 . . . . 0.0 110.14 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -92.93 -69.14 0.76 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.298 -0.876 . . . . 0.0 110.289 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.4 ' C ' HG21 ' A' ' 7' ' ' VAL . 0.0 OUTLIER 62.56 81.97 0.19 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.142 -0.974 . . . . 0.0 110.201 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 57.6 t -149.18 109.55 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.156 -0.965 . . . . 0.0 110.197 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.9 m -99.3 113.42 25.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.272 -0.893 . . . . 0.0 110.221 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -94.24 49.49 1.31 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.348 -0.845 . . . . 0.0 110.204 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 46.93 47.73 15.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 0.0 110.152 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.81 -46.21 0.37 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -125.59 125.12 42.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.247 -1.149 . . . . 0.0 110.2 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 93.3 m -113.09 144.92 41.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.27 -0.894 . . . . 0.0 110.31 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.55 145.3 39.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.555 -0.716 . . . . 0.0 110.435 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.515 ' HD3' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -162.14 137.84 7.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.32 -0.862 . . . . 0.0 109.895 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 170.75 128.56 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.109 -0.994 . . . . 0.0 110.116 -179.722 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -138.15 145.44 41.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.209 -0.932 . . . . 0.0 110.304 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.4 54.28 0.8 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.154 -0.966 . . . . 0.0 110.259 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.255 0.55 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.564 ' CD ' ' N ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -172.92 144.38 1.29 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.242 -0.912 . . . . 0.0 110.15 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.418 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 1.9 m95 57.14 87.86 0.06 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.234 -0.916 . . . . 0.0 110.167 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.441 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER 178.71 134.44 0.08 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.248 -0.908 . . . . 0.0 110.051 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 4' ' ' CYS . 17.7 m-85 -134.82 112.22 10.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.262 -0.899 . . . . 0.0 110.147 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -54.98 137.3 46.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.0 110.203 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 21.1 t -134.98 105.44 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -0.852 . . . . 0.0 110.115 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 3.4 m -83.81 116.6 22.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.362 -0.836 . . . . 0.0 110.239 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.88 52.14 2.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.861 . . . . 0.0 110.136 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 51.55 46.56 26.32 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.177 -0.952 . . . . 0.0 110.254 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.77 -38.65 1.12 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.76 124.67 43.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.286 -1.126 . . . . 0.0 110.109 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -115.26 135.56 54.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.214 -0.929 . . . . 0.0 110.371 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 36.5 p90 -147.96 -167.96 2.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.381 -0.824 . . . . 0.0 110.241 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.511 ' HD3' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -163.09 141.52 8.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.283 -0.886 . . . . 0.0 109.959 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -88.44 119.64 29.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.244 -0.91 . . . . 0.0 110.333 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.2 147.7 48.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.326 -0.859 . . . . 0.0 110.224 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.65 176.96 7.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.261 -0.899 . . . . 0.0 110.211 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.943 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.238 0.542 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.585 ' HB3' ' CE3' ' A' ' 3' ' ' TRP . 2.5 mtt180 -154.44 132.13 11.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.237 -0.915 . . . . 0.0 110.18 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.585 ' CE3' ' HB3' ' A' ' 2' ' ' ARG . 2.8 m-90 38.41 84.78 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.509 -0.744 . . . . 0.0 110.601 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.548 ' SG ' ' CZ ' ' A' ' 5' ' ' PHE . 48.5 t -165.98 154.21 10.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.272 -0.892 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.548 ' CZ ' ' SG ' ' A' ' 4' ' ' CYS . 11.3 m-85 71.21 171.36 0.32 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.719 -0.613 . . . . 0.0 109.85 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.526 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 2.9 ttt180 -154.09 -37.7 0.1 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.229 -0.919 . . . . 0.0 110.548 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 6' ' ' ARG . 70.7 t -157.11 108.32 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.931 . . . . 0.0 110.601 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.535 ' HA ' ' CB ' ' A' ' 13' ' ' CYS . 15.8 m -89.92 125.63 35.43 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -0.879 . . . . 0.0 110.123 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.442 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -101.4 52.01 0.84 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.882 . . . . 0.0 110.285 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 49.5 mtt180 55.49 45.65 24.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.274 -0.891 . . . . 0.0 110.231 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.14 -43.65 0.85 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.63 111.69 20.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.237 -1.155 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.535 ' CB ' ' HA ' ' A' ' 8' ' ' CYS . 23.5 t -124.82 147.52 48.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.327 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.486 ' CB ' ' HB3' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -50.31 156.69 0.8 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.946 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 14' ' ' TYR . 26.4 mtt-85 -141.85 83.53 1.85 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.206 -0.934 . . . . 0.0 110.283 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 17' ' ' CYS . 3.8 ttmm -133.26 111.44 10.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.474 ' HB3' ' HA ' ' A' ' 4' ' ' CYS . 5.6 p 178.23 142.78 0.1 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.361 -0.837 . . . . 0.0 110.124 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -110.63 140.89 44.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.349 -0.844 . . . . 0.0 110.209 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.927 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.213 0.53 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -102.73 153.42 20.16 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.281 -0.887 . . . . 0.0 110.264 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.568 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 33.9 p90 -58.95 79.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.394 -0.816 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -124.58 133.13 53.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.301 -0.875 . . . . 0.0 110.17 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 40.3 m-85 -90.05 161.86 15.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.0 110.294 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.484 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 2.6 ttp180 -152.11 134.71 15.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.89 . . . . 0.0 110.157 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 6' ' ' ARG . 86.2 t -155.87 103.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.208 -0.933 . . . . 0.0 110.242 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 53.7 m -91.81 120.7 32.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.331 -0.855 . . . . 0.0 110.241 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -101.57 45.63 0.96 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 0.0 110.124 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 51.05 52.98 13.84 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.282 -0.886 . . . . 0.0 110.248 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.45 -49.96 0.29 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -138.13 127.72 25.0 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.29 -1.124 . . . . 0.0 110.124 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 100.0 m -100.79 145.96 27.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.131 -0.98 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.462 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -99.42 160.9 13.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.474 -0.766 . . . . 0.0 110.581 -179.695 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -178.5 145.95 0.34 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.45 -0.781 . . . . 0.0 109.894 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -176.44 122.17 0.16 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.182 -0.949 . . . . 0.0 110.244 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.86 106.95 17.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 179.48 -44.64 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.237 -0.914 . . . . 0.0 110.241 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.842 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.29 0.567 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -149.9 122.01 8.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.291 -0.881 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.478 ' O ' ' CB ' ' A' ' 4' ' ' CYS . 4.6 m95 63.26 123.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 0.0 110.235 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 3' ' ' TRP . 0.5 OUTLIER 66.77 138.66 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.182 -0.949 . . . . 0.0 110.273 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -113.73 -150.22 0.46 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.321 -0.862 . . . . 0.0 110.139 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.473 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 8.5 ttp180 -176.98 101.02 0.05 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.255 -0.903 . . . . 0.0 110.311 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 6' ' ' ARG . 38.7 t -157.08 94.61 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 110.143 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 39.5 m -82.88 120.58 25.84 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.196 -0.94 . . . . 0.0 110.328 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 10' ' ' ARG . 54.7 t80 -97.68 43.96 1.05 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 0.0 110.143 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 66.54 46.25 1.9 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.328 -0.858 . . . . 0.0 110.295 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.87 -41.01 1.1 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.16 124.56 52.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.239 -1.154 . . . . 0.0 110.212 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 91.8 m -117.88 134.4 54.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.253 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.71 122.0 19.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.315 -0.865 . . . . 0.0 110.253 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.99 76.07 1.22 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.307 -0.871 . . . . 0.0 110.216 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -118.41 115.07 23.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 0.0 110.245 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 6.1 p 178.68 149.57 0.23 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.281 -0.887 . . . . 0.0 110.185 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 53.61 69.47 0.7 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.26 -0.9 . . . . 0.0 110.162 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.927 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.31 0.576 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.574 ' HB3' ' CE3' ' A' ' 3' ' ' TRP . 8.4 mtp180 -133.07 107.35 8.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.221 -0.924 . . . . 0.0 110.185 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 2' ' ' ARG . 4.5 m-90 40.94 82.71 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.421 -0.799 . . . . 0.0 110.47 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.1 m -137.74 116.4 12.17 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.308 -0.87 . . . . 0.0 110.115 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -90.81 122.23 33.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.277 -0.889 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.93 114.93 26.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.216 -0.927 . . . . 0.0 110.171 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 t -146.39 109.7 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -0.928 . . . . 0.0 110.16 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.1 m -97.27 116.76 30.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.231 -0.918 . . . . 0.0 110.239 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.455 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 1.8 t80 -96.55 40.7 1.12 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.324 -0.86 . . . . 0.0 110.095 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER 64.65 51.37 1.92 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.367 -0.833 . . . . 0.0 110.386 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.29 -38.88 1.42 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -117.11 112.34 20.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.213 -1.169 . . . . 0.0 110.253 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 84.3 m -109.71 135.06 51.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.248 -0.907 . . . . 0.0 110.184 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.52 128.67 38.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 110.324 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.528 ' O ' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -150.04 94.97 2.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.254 -0.904 . . . . 0.0 110.011 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.13 123.45 18.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.925 . . . . 0.0 110.191 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.2 m -116.71 95.5 5.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.3 -0.875 . . . . 0.0 110.198 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -121.63 -67.06 0.99 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.267 -0.896 . . . . 0.0 110.253 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.914 -1.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.511 ' HA ' ' CZ2' ' A' ' 3' ' ' TRP . 8.1 ttt180 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.276 0.56 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.538 ' C ' ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -179.99 83.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 0.0 110.232 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.538 ' CE3' ' C ' ' A' ' 2' ' ' ARG . 3.0 m95 -105.5 89.24 3.05 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.627 -0.671 . . . . 0.0 110.122 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 91.2 m -137.12 138.22 40.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.245 -0.909 . . . . 0.0 110.319 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -129.26 177.51 7.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.412 -0.805 . . . . 0.0 110.084 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -165.13 77.2 0.29 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.231 -0.918 . . . . 0.0 110.347 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.4 92.71 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 110.228 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 3.9 m -66.57 129.43 39.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.326 -0.859 . . . . 0.0 110.394 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -147.46 103.62 3.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.451 -0.781 . . . . 0.0 110.16 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.81 36.73 15.97 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.356 -0.84 . . . . 0.0 110.523 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.35 -13.5 59.95 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.51 89.31 5.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.136 -1.214 . . . . 0.0 110.223 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -96.03 136.28 36.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.309 -0.869 . . . . 0.0 110.362 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.464 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -70.86 124.24 23.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.448 -0.782 . . . . 0.0 110.45 -179.751 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' HD2' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -146.45 95.51 2.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 0.0 110.148 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.3 124.2 12.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 0.0 110.244 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 64.4 m -141.15 144.91 35.09 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.325 -0.859 . . . . 0.0 110.144 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 17' ' ' CYS . 1.6 ttm180 66.54 -76.7 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.344 -0.847 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.233 0.539 . . . . 0.0 110.314 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.578 ' HB3' ' CE3' ' A' ' 3' ' ' TRP . 7.6 mpt_? 55.76 110.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.236 -0.915 . . . . 0.0 110.167 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 2' ' ' ARG . 4.6 m-90 40.29 88.72 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.421 -0.799 . . . . 0.0 110.434 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 33.7 m -152.03 136.01 16.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.296 -0.877 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.454 ' O ' HG22 ' A' ' 7' ' ' VAL . 41.1 m-85 -127.66 50.94 1.98 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 0.0 110.371 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 12.0 ptt85 -49.76 141.42 10.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 109.946 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.581 ' HB ' ' CE2' ' A' ' 14' ' ' TYR . 25.2 t -158.25 118.51 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.111 -0.993 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 7.3 m -95.01 122.47 37.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 0.0 110.321 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -115.72 84.65 2.14 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.869 . . . . 0.0 110.089 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 4.0 mmt180 57.57 39.51 27.64 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.315 -0.866 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 111.16 -30.04 8.3 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -82.74 94.58 7.64 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.221 -1.164 . . . . 0.0 110.145 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 82.5 m -105.01 133.28 50.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.847 . . . . 0.0 110.456 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.581 ' CE2' ' HB ' ' A' ' 7' ' ' VAL . 1.1 p90 -138.01 120.53 16.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.234 -0.916 . . . . 0.0 110.318 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.514 ' CD ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -128.02 114.52 17.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.45 -0.781 . . . . 0.0 110.076 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 12.4 tttp -85.19 116.05 23.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.247 -0.908 . . . . 0.0 110.275 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.514 ' SG ' ' CD ' ' A' ' 15' ' ' ARG . 71.3 m -149.96 119.15 6.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.254 -0.904 . . . . 0.0 110.246 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.99 108.18 9.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 110.181 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.844 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.227 0.536 . . . . 0.0 110.196 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER 60.7 128.82 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 0.0 110.072 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.48 ' O ' ' CB ' ' A' ' 4' ' ' CYS . 5.4 m95 61.27 124.87 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -0.909 . . . . 0.0 110.117 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.495 ' CA ' ' HB3' ' A' ' 17' ' ' CYS . 0.5 OUTLIER 68.56 139.43 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.18 -0.95 . . . . 0.0 110.192 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.418 ' HB2' ' HB3' ' A' ' 14' ' ' TYR . 83.9 m-85 -124.89 -167.72 1.71 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.367 -0.833 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -164.14 77.24 0.36 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 0.0 110.221 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.72 103.55 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.169 -0.957 . . . . 0.0 110.28 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 7.7 m -79.62 118.32 21.35 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.201 -0.937 . . . . 0.0 110.189 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -97.69 45.43 1.03 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.264 -0.897 . . . . 0.0 110.206 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 53.05 53.11 12.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.263 -0.898 . . . . 0.0 110.271 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.32 -43.78 0.53 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.47 129.54 23.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -1.151 . . . . 0.0 110.253 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -105.33 137.38 43.22 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.257 -0.902 . . . . 0.0 110.229 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.418 ' HB3' ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -58.3 124.92 21.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 110.225 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.01 72.86 0.85 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.888 . . . . 0.0 110.276 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 17' ' ' CYS . 0.2 OUTLIER -129.51 114.58 16.28 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 110.202 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.495 ' HB3' ' CA ' ' A' ' 4' ' ' CYS . 20.6 p 179.88 143.67 0.17 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.19 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.3 OUTLIER 58.2 154.19 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.295 -0.878 . . . . 0.0 110.254 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.811 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.177 0.513 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.517 ' HB3' ' CE3' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -147.93 128.17 13.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.332 -0.855 . . . . 0.0 110.236 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.517 ' CE3' ' HB3' ' A' ' 2' ' ' ARG . 2.6 m-90 38.75 90.15 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.544 -0.723 . . . . 0.0 110.621 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 17' ' ' CYS . 0.5 OUTLIER 62.1 136.86 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.24 -0.912 . . . . 0.0 110.221 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 14.0 m-85 -93.12 -156.28 0.47 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 109.964 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 10.4 ttp180 -179.7 80.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.215 -0.928 . . . . 0.0 110.265 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.5 t -121.27 98.27 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.0 110.168 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 14.8 m -74.09 119.64 18.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.222 -0.924 . . . . 0.0 110.307 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -96.12 38.86 1.16 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.301 -0.874 . . . . 0.0 110.069 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 0.3 OUTLIER 63.97 51.25 2.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.302 -0.874 . . . . 0.0 110.268 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.55 -44.81 0.47 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.52 134.99 27.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -1.113 . . . . 0.0 110.123 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -103.16 137.62 41.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.902 . . . . 0.0 110.368 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 140.87 56.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.313 -0.867 . . . . 0.0 110.086 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.8 77.84 1.39 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 110.252 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -120.49 106.5 11.87 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.211 -0.931 . . . . 0.0 110.134 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.508 ' N ' ' SG ' ' A' ' 4' ' ' CYS . 9.4 m -73.12 141.5 47.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.346 -0.846 . . . . 0.0 110.147 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.8 OUTLIER 62.9 101.77 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.313 -0.867 . . . . 0.0 110.225 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.246 0.546 . . . . 0.0 110.151 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 4' ' ' CYS . 6.1 mtt85 -153.9 153.08 31.4 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.24 -0.912 . . . . 0.0 110.222 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.591 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 40.7 p90 -61.39 78.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.372 -0.83 . . . . 0.0 110.209 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 2' ' ' ARG . 55.0 m -137.73 118.44 14.06 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.158 -0.964 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 3.2 p90 -178.69 -169.85 0.18 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.325 -0.859 . . . . 0.0 110.06 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 51.5 ttt180 -177.86 -30.05 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.296 -0.877 . . . . 0.0 110.517 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 64.4 t -153.02 115.8 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.166 -0.959 . . . . 0.0 110.336 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 4.2 m -100.12 110.27 22.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.321 -0.862 . . . . 0.0 110.414 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -86.85 41.96 0.99 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.354 -0.841 . . . . 0.0 109.982 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.07 46.38 8.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.288 -0.883 . . . . 0.0 109.938 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.05 -36.92 1.46 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.25 98.84 7.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.224 -1.162 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 94.2 m -100.64 139.19 36.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.253 -0.905 . . . . 0.0 110.174 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -56.42 169.34 0.45 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.411 -0.806 . . . . 0.0 110.247 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.507 ' O ' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -129.0 77.39 1.79 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.907 . . . . 0.0 110.105 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -132.09 113.47 13.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 0.0 110.198 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.2 m -74.68 145.61 43.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 110.269 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -85.26 60.61 6.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 0.0 110.227 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.193 0.521 . . . . 0.0 110.22 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 1' ' ' ARG . 0.5 OUTLIER -177.46 116.3 0.09 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.339 -0.85 . . . . 0.0 110.236 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.526 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -132.84 90.1 2.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.312 -0.868 . . . . 0.0 110.23 -179.672 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.76 135.37 26.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.933 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.528 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 59.4 m-85 -109.61 -40.49 4.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.303 -0.873 . . . . 0.0 110.142 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.528 ' CG ' ' O ' ' A' ' 5' ' ' PHE . 14.8 ptt-85 36.55 61.31 0.84 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.644 -0.66 . . . . 0.0 110.723 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.17 93.33 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.885 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HA ' ' CB ' ' A' ' 13' ' ' CYS . 12.1 m -81.62 131.21 35.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 110.286 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 2.9 m-85 -111.99 42.62 1.72 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.381 -0.824 . . . . 0.0 110.054 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.9 OUTLIER 60.22 57.04 3.06 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.244 -0.91 . . . . 0.0 110.189 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.47 -35.01 1.92 Allowed Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -135.15 118.65 16.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.285 -1.127 . . . . 0.0 110.264 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.52 ' CB ' ' HA ' ' A' ' 8' ' ' CYS . 28.5 t -128.06 140.74 51.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.309 -0.87 . . . . 0.0 110.205 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -97.49 92.26 5.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.427 -0.796 . . . . 0.0 110.309 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -107.92 81.83 1.56 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.362 -0.836 . . . . 0.0 110.129 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -121.16 122.96 41.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.254 -0.904 . . . . 0.0 110.251 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 111.41 4.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.274 -0.891 . . . . 0.0 110.23 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -142.75 87.27 1.98 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.29 -0.881 . . . . 0.0 110.241 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.864 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 34.1 m-85 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.169 0.509 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 7' ' ' VAL . 5.7 ttp180 57.86 105.72 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.316 -0.865 . . . . 0.0 110.238 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 6' ' ' ARG . 37.3 t -153.84 114.64 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.318 -0.863 . . . . 0.0 110.172 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 4.3 m . . . . . 0 N--CA 1.494 1.775 0 O-C-N 121.218 -0.926 . . . . 0.0 110.366 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.31 0.576 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -111.02 133.9 53.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.168 -0.958 . . . . 0.0 110.269 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.47 ' C ' ' CD ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -80.83 166.2 21.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.85 . . . . 0.0 110.278 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.543 ' HD3' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -175.34 79.02 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.219 -0.926 . . . . 0.0 110.683 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.24 112.62 13.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.035 . . . . 0.0 110.25 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.493 1.708 0 O-C-N 121.266 -0.896 . . . . 0.0 110.072 179.886 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.698 ' O ' HG23 ' A' ' 7' ' ' VAL . 30.4 m-85 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.306 0.574 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -48.17 121.54 4.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.346 -0.847 . . . . 0.0 110.25 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 5' ' ' PHE . 53.5 t -135.39 102.47 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.233 -0.917 . . . . 0.0 110.245 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.255 -0.903 . . . . 0.0 110.254 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.234 0.54 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.6 m -111.0 131.42 55.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 110.03 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.597 ' OH ' HG11 ' A' ' 7' ' ' VAL . 46.9 p90 -143.13 169.65 17.19 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.177 -0.952 . . . . 0.0 110.389 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.14 118.36 18.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.878 . . . . 0.0 110.096 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 177.83 130.3 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.254 -0.903 . . . . 0.0 110.213 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.321 -0.862 . . . . 0.0 110.114 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 46.2 m-85 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.257 0.551 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 3.3 ttm-85 -177.79 102.14 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.403 -0.81 . . . . 0.0 109.892 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 14' ' ' TYR . 60.4 t -139.56 109.28 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.264 -0.897 . . . . 0.0 110.376 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.505 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 14.2 m . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.335 -0.853 . . . . 0.0 110.202 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.272 0.558 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -98.58 136.12 39.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.235 -0.916 . . . . 0.0 110.324 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 7' ' ' VAL . 31.6 p90 -128.71 -160.97 1.07 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.4 -0.812 . . . . 0.0 110.277 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 5' ' ' PHE . 4.2 mpp_? -126.6 117.17 22.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.257 -0.902 . . . . 0.0 110.276 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 133.91 1.04 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.304 -0.872 . . . . 0.0 110.169 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.267 -0.896 . . . . 0.0 110.147 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.248 0.547 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.21 96.8 2.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.275 -0.891 . . . . 0.0 110.236 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.6 t -137.39 103.23 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.266 -0.896 . . . . 0.0 110.097 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.417 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 8.8 m . . . . . 0 N--CA 1.495 1.799 0 O-C-N 121.264 -0.898 . . . . 0.0 110.287 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.229 0.537 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -101.46 133.17 46.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.277 -0.889 . . . . 0.0 110.229 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.52 117.09 4.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.865 . . . . 0.0 110.311 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.51 74.96 1.48 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 110.152 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.5 102.83 4.42 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.221 -0.924 . . . . 0.0 109.998 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.366 -0.834 . . . . 0.0 110.223 -179.768 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.423 ' C ' ' HA ' ' A' ' 15' ' ' ARG . 4.2 m-30 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.29 0.567 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 12.7 ttt-85 -48.87 103.93 0.05 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 110.371 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 7' ' ' VAL . 13.2 p -120.91 99.23 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.249 -0.907 . . . . 0.0 110.032 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 27.9 m . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.276 -0.89 . . . . 0.0 110.625 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 18.3 m-85 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.394 0.616 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 80.7 m -92.54 128.56 38.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.368 -0.833 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.55 171.27 13.63 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.36 -0.837 . . . . 0.0 110.318 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -136.12 92.01 2.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.321 -0.862 . . . . 0.0 110.177 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -166.96 129.73 1.78 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.278 -0.889 . . . . 0.0 110.217 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.0 t . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.248 -0.907 . . . . 0.0 110.291 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.254 0.55 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.48 ' C ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER 62.56 81.97 0.19 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.142 -0.974 . . . . 0.0 110.201 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.48 HG23 ' C ' ' A' ' 6' ' ' ARG . 57.6 t -149.18 109.55 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.156 -0.965 . . . . 0.0 110.197 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.272 -0.893 . . . . 0.0 110.221 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.266 0.555 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 93.3 m -113.09 144.92 41.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.27 -0.894 . . . . 0.0 110.31 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.55 145.3 39.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.555 -0.716 . . . . 0.0 110.435 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.508 ' CD ' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -162.14 137.84 7.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.32 -0.862 . . . . 0.0 109.895 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 170.75 128.56 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.109 -0.994 . . . . 0.0 110.116 -179.722 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.209 -0.932 . . . . 0.0 110.304 -179.932 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.341 0.591 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.511 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -54.98 137.3 46.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.0 110.203 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 21.1 t -134.98 105.44 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -0.852 . . . . 0.0 110.115 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 3.4 m . . . . . 0 N--CA 1.495 1.786 0 O-C-N 121.362 -0.836 . . . . 0.0 110.239 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.319 0.581 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -115.26 135.56 54.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.214 -0.929 . . . . 0.0 110.371 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.511 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 36.5 p90 -147.96 -167.96 2.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.381 -0.824 . . . . 0.0 110.241 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.511 ' CD ' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -163.09 141.52 8.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.283 -0.886 . . . . 0.0 109.959 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -88.44 119.64 29.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.244 -0.91 . . . . 0.0 110.333 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.326 -0.859 . . . . 0.0 110.224 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 11.3 m-85 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 121.127 0.489 . . . . 0.0 109.85 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 7' ' ' VAL . 2.9 ttt180 -154.09 -37.7 0.1 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.229 -0.919 . . . . 0.0 110.548 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 6' ' ' ARG . 70.7 t -157.11 108.32 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.931 . . . . 0.0 110.601 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.502 ' HA ' ' CB ' ' A' ' 13' ' ' CYS . 15.8 m . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.294 -0.879 . . . . 0.0 110.123 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.251 0.548 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 23.5 t -124.82 147.52 48.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.327 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.507 ' CB ' ' HB3' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -50.31 156.69 0.8 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.946 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 14' ' ' TYR . 26.4 mtt-85 -141.85 83.53 1.85 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.206 -0.934 . . . . 0.0 110.283 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 17' ' ' CYS . 3.8 ttmm -133.26 111.44 10.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 5.6 p . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.361 -0.837 . . . . 0.0 110.124 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 40.3 m-85 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.287 0.565 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.561 ' C ' HG23 ' A' ' 7' ' ' VAL . 2.6 ttp180 -152.11 134.71 15.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.89 . . . . 0.0 110.157 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.561 HG23 ' C ' ' A' ' 6' ' ' ARG . 86.2 t -155.87 103.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.208 -0.933 . . . . 0.0 110.242 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.331 -0.855 . . . . 0.0 110.241 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.302 0.572 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 100.0 m -100.79 145.96 27.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.131 -0.98 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -99.42 160.9 13.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.474 -0.766 . . . . 0.0 110.581 -179.695 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.498 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -178.5 145.95 0.34 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.45 -0.781 . . . . 0.0 109.894 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -176.44 122.17 0.16 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.182 -0.949 . . . . 0.0 110.244 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.206 0.526 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.637 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.5 ttp180 -176.98 101.02 0.05 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.255 -0.903 . . . . 0.0 110.311 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 6' ' ' ARG . 38.7 t -157.08 94.61 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 110.143 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.196 -0.94 . . . . 0.0 110.328 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.244 0.545 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 91.8 m -117.88 134.4 54.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.71 122.0 19.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.315 -0.865 . . . . 0.0 110.253 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.99 76.07 1.22 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.307 -0.871 . . . . 0.0 110.216 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -118.41 115.07 23.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 0.0 110.245 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 6.1 p . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.281 -0.887 . . . . 0.0 110.185 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.359 0.6 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -114.93 114.93 26.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.216 -0.927 . . . . 0.0 110.171 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 27.0 t -146.39 109.7 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -0.928 . . . . 0.0 110.16 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.231 -0.918 . . . . 0.0 110.239 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.31 0.576 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 84.3 m -109.71 135.06 51.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.248 -0.907 . . . . 0.0 110.184 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -92.52 128.67 38.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 110.324 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.528 ' CD ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -150.04 94.97 2.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.254 -0.904 . . . . 0.0 110.011 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.13 123.45 18.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.925 . . . . 0.0 110.191 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.3 -0.875 . . . . 0.0 110.198 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.235 0.54 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -165.13 77.2 0.29 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.231 -0.918 . . . . 0.0 110.347 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 7' ' ' VAL . 47.9 t -117.4 92.71 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 110.228 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 3.9 m . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.326 -0.859 . . . . 0.0 110.394 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.379 0.609 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -96.03 136.28 36.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.309 -0.869 . . . . 0.0 110.362 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.465 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -70.86 124.24 23.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.448 -0.782 . . . . 0.0 110.45 -179.751 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HD2' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -146.45 95.51 2.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 0.0 110.148 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.3 124.2 12.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 0.0 110.244 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.4 m . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.325 -0.859 . . . . 0.0 110.144 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.205 0.526 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.676 ' O ' HG23 ' A' ' 7' ' ' VAL . 12.0 ptt85 -49.76 141.42 10.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 109.946 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 6' ' ' ARG . 25.2 t -158.25 118.51 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.111 -0.993 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 7.3 m . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 0.0 110.321 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.379 0.609 . . . . 0.0 110.145 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 82.5 m -105.01 133.28 50.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.847 . . . . 0.0 110.456 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.59 ' CE2' ' HB ' ' A' ' 7' ' ' VAL . 1.1 p90 -138.01 120.53 16.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.234 -0.916 . . . . 0.0 110.318 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.514 ' CD ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -128.02 114.52 17.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.45 -0.781 . . . . 0.0 110.076 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 12.4 tttp -85.19 116.05 23.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.247 -0.908 . . . . 0.0 110.275 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.514 ' SG ' ' CD ' ' A' ' 15' ' ' ARG . 71.3 m . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.254 -0.904 . . . . 0.0 110.246 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.44 ' HB2' ' HB3' ' A' ' 14' ' ' TYR . 83.9 m-85 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.27 0.557 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -164.14 77.24 0.36 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 0.0 110.221 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.72 103.55 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.169 -0.957 . . . . 0.0 110.28 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 7.7 m . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.201 -0.937 . . . . 0.0 110.189 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.202 0.525 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -105.33 137.38 43.22 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.257 -0.902 . . . . 0.0 110.229 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' HB3' ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -58.3 124.92 21.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 110.225 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.01 72.86 0.85 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.888 . . . . 0.0 110.276 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 17' ' ' CYS . 0.2 OUTLIER -129.51 114.58 16.28 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 110.202 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 20.6 p . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.19 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 14.0 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.229 0.538 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 10.4 ttp180 -179.7 80.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.215 -0.928 . . . . 0.0 110.265 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.5 t -121.27 98.27 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.0 110.168 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 14.8 m . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.222 -0.924 . . . . 0.0 110.307 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.223 0.535 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -103.16 137.62 41.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.902 . . . . 0.0 110.368 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 140.87 56.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.313 -0.867 . . . . 0.0 110.086 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.8 77.84 1.39 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 110.252 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -120.49 106.5 11.87 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.211 -0.931 . . . . 0.0 110.134 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.346 -0.846 . . . . 0.0 110.147 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 3.2 p90 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.189 0.518 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.538 ' C ' HG23 ' A' ' 7' ' ' VAL . 51.5 ttt180 -177.86 -30.05 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.296 -0.877 . . . . 0.0 110.517 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.538 HG23 ' C ' ' A' ' 6' ' ' ARG . 64.4 t -153.02 115.8 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.166 -0.959 . . . . 0.0 110.336 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.493 1.706 0 O-C-N 121.321 -0.862 . . . . 0.0 110.414 179.884 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.274 0.559 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 94.2 m -100.64 139.19 36.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.253 -0.905 . . . . 0.0 110.174 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -56.42 169.34 0.45 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.411 -0.806 . . . . 0.0 110.247 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -129.0 77.39 1.79 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.907 . . . . 0.0 110.105 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -132.09 113.47 13.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 0.0 110.198 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.2 m . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 110.269 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 7' ' ' VAL . 59.4 m-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.079 0.466 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.528 ' CG ' ' O ' ' A' ' 5' ' ' PHE . 14.8 ptt-85 36.55 61.31 0.84 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.644 -0.66 . . . . 0.0 110.723 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 5' ' ' PHE . 39.4 t -120.17 93.33 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.885 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.506 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 12.1 m . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 110.286 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.223 0.535 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 28.5 t -128.06 140.74 51.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.309 -0.87 . . . . 0.0 110.205 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -97.49 92.26 5.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.427 -0.796 . . . . 0.0 110.309 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -107.92 81.83 1.56 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.362 -0.836 . . . . 0.0 110.129 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -121.16 122.96 41.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.254 -0.904 . . . . 0.0 110.251 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.274 -0.891 . . . . 0.0 110.23 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.246 0.546 . . . . 0.0 110.173 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.566 ' HB3' ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER 62.92 136.63 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.0 110.229 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 2' ' ' ARG . 3.7 m-90 39.67 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.42 -0.8 . . . . 0.0 110.486 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.457 ' O ' ' O ' ' A' ' 3' ' ' TRP . 0.8 OUTLIER 60.73 133.69 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.243 -0.911 . . . . 0.0 110.032 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 34.1 m-85 -97.61 -48.59 5.19 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.321 -0.862 . . . . 0.0 110.246 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 7' ' ' VAL . 5.7 ttp180 57.86 105.72 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.316 -0.865 . . . . 0.0 110.238 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 6' ' ' ARG . 37.3 t -153.84 114.64 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.318 -0.863 . . . . 0.0 110.172 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 4.3 m -86.22 123.07 31.08 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.218 -0.926 . . . . 0.0 110.366 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -98.79 44.06 1.04 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.345 -0.847 . . . . 0.0 110.105 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 20.0 mtt85 58.61 45.89 15.46 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.237 -0.914 . . . . 0.0 110.294 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.75 -41.87 0.68 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.73 125.88 40.79 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.199 -1.177 . . . . 0.0 110.226 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -111.02 133.9 53.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.168 -0.958 . . . . 0.0 110.269 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.47 ' C ' ' CD ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -80.83 166.2 21.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.85 . . . . 0.0 110.278 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.543 ' HD3' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -175.34 79.02 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.219 -0.926 . . . . 0.0 110.683 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.24 112.62 13.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.035 . . . . 0.0 110.25 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.02 136.8 33.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.266 -0.896 . . . . 0.0 110.072 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -175.15 97.25 0.08 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.241 -0.912 . . . . 0.0 110.227 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.821 -1.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 2' ' ' ARG . 5.7 ttm180 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.231 0.538 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 1' ' ' ARG . 1.7 ptt180 -178.06 167.37 2.01 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.249 -0.907 . . . . 0.0 110.479 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.422 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 7.1 p90 -119.63 90.9 3.42 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.701 -0.624 . . . . 0.0 110.069 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.671 ' H ' HG21 ' A' ' 7' ' ' VAL . 5.9 t -176.89 141.26 0.35 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.224 -0.923 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.698 ' O ' HG23 ' A' ' 7' ' ' VAL . 30.4 m-85 43.29 -167.58 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.479 -0.763 . . . . 0.0 110.326 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -48.17 121.54 4.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.346 -0.847 . . . . 0.0 110.25 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 5' ' ' PHE . 53.5 t -135.39 102.47 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.233 -0.917 . . . . 0.0 110.245 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.2 m -87.33 111.77 21.41 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.255 -0.903 . . . . 0.0 110.254 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -88.74 47.88 1.56 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.345 -0.847 . . . . 0.0 110.198 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 2.8 mtm180 56.11 48.73 16.96 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.311 -0.868 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.07 -42.98 0.68 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.53 125.06 44.96 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.153 -1.204 . . . . 0.0 110.415 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.6 m -111.0 131.42 55.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 110.03 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.597 ' OH ' HG11 ' A' ' 7' ' ' VAL . 46.9 p90 -143.13 169.65 17.19 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.177 -0.952 . . . . 0.0 110.389 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.14 118.36 18.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.878 . . . . 0.0 110.096 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 177.83 130.3 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.254 -0.903 . . . . 0.0 110.213 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -122.33 127.6 50.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.321 -0.862 . . . . 0.0 110.114 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -75.88 -173.47 2.29 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.263 -0.898 . . . . 0.0 110.206 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.942 -1.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 2' ' ' ARG . 4.9 ttp85 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.172 0.51 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -178.15 148.46 0.5 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.327 -0.858 . . . . 0.0 110.257 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' ARG . 5.1 m95 43.89 85.15 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 0.0 110.098 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 4.3 t -171.86 141.22 1.36 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.225 -0.922 . . . . 0.0 110.328 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 46.2 m-85 55.51 18.27 2.62 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.419 -0.801 . . . . 0.0 110.056 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 3.3 ttm-85 -177.79 102.14 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.403 -0.81 . . . . 0.0 109.892 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 14' ' ' TYR . 60.4 t -139.56 109.28 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.264 -0.897 . . . . 0.0 110.376 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.505 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 14.2 m -82.47 114.85 21.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.335 -0.853 . . . . 0.0 110.202 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.431 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -90.39 43.33 1.14 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.408 -0.808 . . . . 0.0 110.147 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER 58.71 50.2 9.17 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.241 -0.912 . . . . 0.0 110.189 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.96 -50.9 0.31 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.99 134.63 31.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.284 -1.127 . . . . 0.0 110.138 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -98.58 136.12 39.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.235 -0.916 . . . . 0.0 110.324 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 7' ' ' VAL . 31.6 p90 -128.71 -160.97 1.07 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.4 -0.812 . . . . 0.0 110.277 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 5' ' ' PHE . 4.2 mpp_? -126.6 117.17 22.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.257 -0.902 . . . . 0.0 110.276 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 133.91 1.04 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.304 -0.872 . . . . 0.0 110.169 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.83 105.43 17.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.267 -0.896 . . . . 0.0 110.147 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -134.74 107.34 7.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.256 -0.902 . . . . 0.0 110.156 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 1.5 mpt_? . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.188 0.518 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.645 ' CB ' ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -147.38 156.69 43.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.301 -0.875 . . . . 0.0 110.176 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.645 ' CE3' ' CB ' ' A' ' 2' ' ' ARG . 4.1 m-90 53.59 118.82 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.983 0 CA-C-O 121.598 0.713 . . . . 0.0 111.051 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.494 ' CB ' ' HA ' ' A' ' 17' ' ' CYS . 3.0 t -72.43 138.83 47.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.178 -0.952 . . . . 0.0 110.065 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 3' ' ' TRP . 53.4 m-85 -120.49 175.43 5.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.411 -0.806 . . . . 0.0 110.202 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.21 96.8 2.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.275 -0.891 . . . . 0.0 110.236 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.6 t -137.39 103.23 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.266 -0.896 . . . . 0.0 110.097 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 8.8 m -75.78 126.07 30.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.264 -0.898 . . . . 0.0 110.287 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.466 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 24.8 t80 -105.59 34.55 3.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.337 -0.852 . . . . 0.0 110.064 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER 66.5 46.5 1.87 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 0.0 110.198 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.96 -48.96 0.45 Allowed Glycine 0 N--CA 1.489 2.179 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -128.27 119.54 25.36 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.301 -1.117 . . . . 0.0 110.195 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -101.46 133.17 46.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.277 -0.889 . . . . 0.0 110.229 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.52 117.09 4.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.865 . . . . 0.0 110.311 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.51 74.96 1.48 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 110.152 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.5 102.83 4.42 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.221 -0.924 . . . . 0.0 109.998 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 13.3 m -88.57 134.73 33.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.366 -0.834 . . . . 0.0 110.223 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 3' ' ' TRP . 12.3 mtt180 -156.4 147.67 22.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 0.0 110.192 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.877 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.614 ' HA ' ' CZ2' ' A' ' 3' ' ' TRP . 10.8 mtt-85 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.285 0.564 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.522 ' O ' HG21 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -173.17 111.61 0.21 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.286 -0.884 . . . . 0.0 110.205 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.614 ' CZ2' ' HA ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER -130.77 97.31 4.31 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.398 -0.814 . . . . 0.0 110.16 -179.538 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.466 ' HA ' ' HB2' ' A' ' 17' ' ' CYS . 3.6 m -158.64 118.34 3.16 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 0.0 109.957 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.447 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 4.2 m-30 56.66 -164.11 0.16 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.335 -0.853 . . . . 0.0 110.14 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 12.7 ttt-85 -48.87 103.93 0.05 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 110.371 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 7' ' ' VAL . 13.2 p -120.91 99.23 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.249 -0.907 . . . . 0.0 110.032 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 27.9 m -87.91 114.97 25.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.276 -0.89 . . . . 0.0 110.625 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -128.4 100.82 5.94 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.41 -0.806 . . . . 0.0 110.115 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 21.1 mtt180 64.13 36.77 9.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.336 -0.852 . . . . 0.0 110.687 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.81 76.71 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 18.3 m-85 -95.54 89.11 5.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.099 -1.236 . . . . 0.0 110.307 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 80.7 m -92.54 128.56 38.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.368 -0.833 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.55 171.27 13.63 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.36 -0.837 . . . . 0.0 110.318 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -136.12 92.01 2.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.321 -0.862 . . . . 0.0 110.177 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 11.5 tttp -166.96 129.73 1.78 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.278 -0.889 . . . . 0.0 110.217 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 37.0 t -132.54 149.19 52.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.248 -0.907 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' A' ' 19' ' ' NH2 . 30.1 ttt85 -131.79 159.48 38.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 110.253 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.481 ' N ' ' HG2' ' A' ' 18' ' ' ARG . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.229 0.538 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 3' ' ' TRP . 36.6 mtm-85 -137.76 123.39 19.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 0.0 110.225 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.462 ' O ' ' O ' ' A' ' 4' ' ' CYS . 6.3 m95 59.34 115.01 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.24 -0.913 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.462 ' O ' ' O ' ' A' ' 3' ' ' TRP . 72.5 m 56.79 113.36 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.363 -0.835 . . . . 0.0 110.14 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -92.93 -69.14 0.76 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.298 -0.876 . . . . 0.0 110.289 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.48 ' C ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER 62.56 81.97 0.19 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.142 -0.974 . . . . 0.0 110.201 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.48 HG23 ' C ' ' A' ' 6' ' ' ARG . 57.6 t -149.18 109.55 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.156 -0.965 . . . . 0.0 110.197 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.9 m -99.3 113.42 25.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.272 -0.893 . . . . 0.0 110.221 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -94.24 49.49 1.31 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.348 -0.845 . . . . 0.0 110.204 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 46.93 47.73 15.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 0.0 110.152 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.81 -46.21 0.37 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -125.59 125.12 42.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.247 -1.149 . . . . 0.0 110.2 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 93.3 m -113.09 144.92 41.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.27 -0.894 . . . . 0.0 110.31 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.55 145.3 39.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.555 -0.716 . . . . 0.0 110.435 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.508 ' CD ' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -162.14 137.84 7.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.32 -0.862 . . . . 0.0 109.895 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 170.75 128.56 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.109 -0.994 . . . . 0.0 110.116 -179.722 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -138.15 145.44 41.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.209 -0.932 . . . . 0.0 110.304 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.4 54.28 0.8 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.154 -0.966 . . . . 0.0 110.259 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 2' ' ' ARG . 10.8 ttt180 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.255 0.55 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.564 ' N ' ' CD ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -172.92 144.38 1.29 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.242 -0.912 . . . . 0.0 110.15 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.418 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 1.9 m95 57.14 87.86 0.06 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.234 -0.916 . . . . 0.0 110.167 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.441 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER 178.71 134.44 0.08 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.248 -0.908 . . . . 0.0 110.051 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 4' ' ' CYS . 17.7 m-85 -134.82 112.22 10.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.262 -0.899 . . . . 0.0 110.147 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.511 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -54.98 137.3 46.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.0 110.203 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 21.1 t -134.98 105.44 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -0.852 . . . . 0.0 110.115 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 3.4 m -83.81 116.6 22.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.362 -0.836 . . . . 0.0 110.239 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.88 52.14 2.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.861 . . . . 0.0 110.136 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 51.55 46.56 26.32 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.177 -0.952 . . . . 0.0 110.254 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.77 -38.65 1.12 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.76 124.67 43.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.286 -1.126 . . . . 0.0 110.109 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -115.26 135.56 54.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.214 -0.929 . . . . 0.0 110.371 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.511 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 36.5 p90 -147.96 -167.96 2.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.381 -0.824 . . . . 0.0 110.241 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.511 ' CD ' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -163.09 141.52 8.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.283 -0.886 . . . . 0.0 109.959 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -88.44 119.64 29.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.244 -0.91 . . . . 0.0 110.333 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.2 147.7 48.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.326 -0.859 . . . . 0.0 110.224 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.65 176.96 7.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.261 -0.899 . . . . 0.0 110.211 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.943 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.238 0.542 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.598 ' HB3' ' CE3' ' A' ' 3' ' ' TRP . 2.5 mtt180 -154.44 132.13 11.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.237 -0.915 . . . . 0.0 110.18 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.598 ' CE3' ' HB3' ' A' ' 2' ' ' ARG . 2.8 m-90 38.41 84.78 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.509 -0.744 . . . . 0.0 110.601 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.548 ' SG ' ' CZ ' ' A' ' 5' ' ' PHE . 48.5 t -165.98 154.21 10.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.272 -0.892 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.548 ' CZ ' ' SG ' ' A' ' 4' ' ' CYS . 11.3 m-85 71.21 171.36 0.32 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.719 -0.613 . . . . 0.0 109.85 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 7' ' ' VAL . 2.9 ttt180 -154.09 -37.7 0.1 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.229 -0.919 . . . . 0.0 110.548 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 6' ' ' ARG . 70.7 t -157.11 108.32 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.931 . . . . 0.0 110.601 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.502 ' HA ' ' CB ' ' A' ' 13' ' ' CYS . 15.8 m -89.92 125.63 35.43 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -0.879 . . . . 0.0 110.123 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -101.4 52.01 0.84 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.882 . . . . 0.0 110.285 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 49.5 mtt180 55.49 45.65 24.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.274 -0.891 . . . . 0.0 110.231 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.14 -43.65 0.85 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.63 111.69 20.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.237 -1.155 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 23.5 t -124.82 147.52 48.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.327 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.507 ' CB ' ' HB3' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -50.31 156.69 0.8 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.946 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 14' ' ' TYR . 26.4 mtt-85 -141.85 83.53 1.85 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.206 -0.934 . . . . 0.0 110.283 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 3.8 ttmm -133.26 111.44 10.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 3' ' ' TRP . 5.6 p 178.23 142.78 0.1 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.361 -0.837 . . . . 0.0 110.124 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -110.63 140.89 44.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.349 -0.844 . . . . 0.0 110.209 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.927 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.213 0.53 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -102.73 153.42 20.16 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.281 -0.887 . . . . 0.0 110.264 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.568 ' CD1' ' O ' ' A' ' 3' ' ' TRP . 33.9 p90 -58.95 79.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.394 -0.816 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -124.58 133.13 53.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.301 -0.875 . . . . 0.0 110.17 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 40.3 m-85 -90.05 161.86 15.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.0 110.294 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.561 ' C ' HG23 ' A' ' 7' ' ' VAL . 2.6 ttp180 -152.11 134.71 15.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.89 . . . . 0.0 110.157 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.561 HG23 ' C ' ' A' ' 6' ' ' ARG . 86.2 t -155.87 103.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.208 -0.933 . . . . 0.0 110.242 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.7 m -91.81 120.7 32.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.331 -0.855 . . . . 0.0 110.241 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -101.57 45.63 0.96 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 0.0 110.124 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 51.05 52.98 13.84 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.282 -0.886 . . . . 0.0 110.248 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.45 -49.96 0.29 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -138.13 127.72 25.0 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.29 -1.124 . . . . 0.0 110.124 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 100.0 m -100.79 145.96 27.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.131 -0.98 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -99.42 160.9 13.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.474 -0.766 . . . . 0.0 110.581 -179.695 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.498 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -178.5 145.95 0.34 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.45 -0.781 . . . . 0.0 109.894 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -176.44 122.17 0.16 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.182 -0.949 . . . . 0.0 110.244 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.86 106.95 17.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 179.48 -44.64 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.237 -0.914 . . . . 0.0 110.241 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.842 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.29 0.567 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -149.9 122.01 8.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.291 -0.881 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.478 ' O ' ' CB ' ' A' ' 4' ' ' CYS . 4.6 m95 63.26 123.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 0.0 110.235 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 3' ' ' TRP . 0.5 OUTLIER 66.77 138.66 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.182 -0.949 . . . . 0.0 110.273 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -113.73 -150.22 0.46 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.321 -0.862 . . . . 0.0 110.139 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.637 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.5 ttp180 -176.98 101.02 0.05 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.255 -0.903 . . . . 0.0 110.311 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 6' ' ' ARG . 38.7 t -157.08 94.61 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 110.143 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.5 m -82.88 120.58 25.84 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.196 -0.94 . . . . 0.0 110.328 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 10' ' ' ARG . 54.7 t80 -97.68 43.96 1.05 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 0.0 110.143 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 66.54 46.25 1.9 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.328 -0.858 . . . . 0.0 110.295 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.87 -41.01 1.1 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.16 124.56 52.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.239 -1.154 . . . . 0.0 110.212 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 91.8 m -117.88 134.4 54.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.71 122.0 19.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.315 -0.865 . . . . 0.0 110.253 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.99 76.07 1.22 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.307 -0.871 . . . . 0.0 110.216 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -118.41 115.07 23.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 0.0 110.245 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 6.1 p 178.68 149.57 0.23 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.281 -0.887 . . . . 0.0 110.185 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 53.61 69.47 0.7 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.26 -0.9 . . . . 0.0 110.162 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.927 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.31 0.576 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.58 ' HB3' ' CE3' ' A' ' 3' ' ' TRP . 8.4 mtp180 -133.07 107.35 8.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.221 -0.924 . . . . 0.0 110.185 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.58 ' CE3' ' HB3' ' A' ' 2' ' ' ARG . 4.5 m-90 40.94 82.71 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.421 -0.799 . . . . 0.0 110.47 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.1 m -137.74 116.4 12.17 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.308 -0.87 . . . . 0.0 110.115 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -90.81 122.23 33.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.277 -0.889 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -114.93 114.93 26.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.216 -0.927 . . . . 0.0 110.171 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 27.0 t -146.39 109.7 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -0.928 . . . . 0.0 110.16 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.1 m -97.27 116.76 30.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.231 -0.918 . . . . 0.0 110.239 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.465 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 1.8 t80 -96.55 40.7 1.12 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.324 -0.86 . . . . 0.0 110.095 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER 64.65 51.37 1.92 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.367 -0.833 . . . . 0.0 110.386 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.29 -38.88 1.42 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -117.11 112.34 20.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.213 -1.169 . . . . 0.0 110.253 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 84.3 m -109.71 135.06 51.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.248 -0.907 . . . . 0.0 110.184 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -92.52 128.67 38.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 110.324 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.528 ' CD ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -150.04 94.97 2.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.254 -0.904 . . . . 0.0 110.011 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.13 123.45 18.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.925 . . . . 0.0 110.191 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.2 m -116.71 95.5 5.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.3 -0.875 . . . . 0.0 110.198 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -121.63 -67.06 0.99 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.267 -0.896 . . . . 0.0 110.253 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.914 -1.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.541 ' HA ' ' CZ2' ' A' ' 3' ' ' TRP . 8.1 ttt180 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.276 0.56 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.538 ' C ' ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -179.99 83.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 0.0 110.232 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.541 ' CZ2' ' HA ' ' A' ' 1' ' ' ARG . 3.0 m95 -105.5 89.24 3.05 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.627 -0.671 . . . . 0.0 110.122 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 91.2 m -137.12 138.22 40.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.245 -0.909 . . . . 0.0 110.319 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -129.26 177.51 7.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.412 -0.805 . . . . 0.0 110.084 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -165.13 77.2 0.29 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.231 -0.918 . . . . 0.0 110.347 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 7' ' ' VAL . 47.9 t -117.4 92.71 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 110.228 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 3.9 m -66.57 129.43 39.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.326 -0.859 . . . . 0.0 110.394 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -147.46 103.62 3.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.451 -0.781 . . . . 0.0 110.16 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.81 36.73 15.97 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.356 -0.84 . . . . 0.0 110.523 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.35 -13.5 59.95 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.51 89.31 5.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.136 -1.214 . . . . 0.0 110.223 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -96.03 136.28 36.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.309 -0.869 . . . . 0.0 110.362 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.465 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -70.86 124.24 23.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.448 -0.782 . . . . 0.0 110.45 -179.751 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HD2' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -146.45 95.51 2.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 0.0 110.148 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.3 124.2 12.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 0.0 110.244 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 64.4 m -141.15 144.91 35.09 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.325 -0.859 . . . . 0.0 110.144 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 17' ' ' CYS . 1.6 ttm180 66.54 -76.7 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.344 -0.847 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.233 0.539 . . . . 0.0 110.314 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.584 ' HB3' ' CE3' ' A' ' 3' ' ' TRP . 7.6 mpt_? 55.76 110.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.236 -0.915 . . . . 0.0 110.167 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 2' ' ' ARG . 4.6 m-90 40.29 88.72 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.421 -0.799 . . . . 0.0 110.434 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 33.7 m -152.03 136.01 16.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.296 -0.877 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -127.66 50.94 1.98 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 0.0 110.371 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.676 ' O ' HG23 ' A' ' 7' ' ' VAL . 12.0 ptt85 -49.76 141.42 10.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 109.946 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 6' ' ' ARG . 25.2 t -158.25 118.51 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.111 -0.993 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 7.3 m -95.01 122.47 37.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 0.0 110.321 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -115.72 84.65 2.14 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.869 . . . . 0.0 110.089 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 4.0 mmt180 57.57 39.51 27.64 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.315 -0.866 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 111.16 -30.04 8.3 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -82.74 94.58 7.64 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.221 -1.164 . . . . 0.0 110.145 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 82.5 m -105.01 133.28 50.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.847 . . . . 0.0 110.456 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.59 ' CE2' ' HB ' ' A' ' 7' ' ' VAL . 1.1 p90 -138.01 120.53 16.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.234 -0.916 . . . . 0.0 110.318 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.514 ' CD ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -128.02 114.52 17.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.45 -0.781 . . . . 0.0 110.076 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 12.4 tttp -85.19 116.05 23.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.247 -0.908 . . . . 0.0 110.275 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.514 ' SG ' ' CD ' ' A' ' 15' ' ' ARG . 71.3 m -149.96 119.15 6.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.254 -0.904 . . . . 0.0 110.246 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.99 108.18 9.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 110.181 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.844 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.227 0.536 . . . . 0.0 110.196 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER 60.7 128.82 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 0.0 110.072 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.48 ' O ' ' CB ' ' A' ' 4' ' ' CYS . 5.4 m95 61.27 124.87 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -0.909 . . . . 0.0 110.117 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.507 ' CA ' ' HB3' ' A' ' 17' ' ' CYS . 0.5 OUTLIER 68.56 139.43 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.18 -0.95 . . . . 0.0 110.192 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' HB2' ' HB3' ' A' ' 14' ' ' TYR . 83.9 m-85 -124.89 -167.72 1.71 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.367 -0.833 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -164.14 77.24 0.36 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 0.0 110.221 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.72 103.55 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.169 -0.957 . . . . 0.0 110.28 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 7.7 m -79.62 118.32 21.35 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.201 -0.937 . . . . 0.0 110.189 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -97.69 45.43 1.03 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.264 -0.897 . . . . 0.0 110.206 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 53.05 53.11 12.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.263 -0.898 . . . . 0.0 110.271 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.32 -43.78 0.53 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.47 129.54 23.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -1.151 . . . . 0.0 110.253 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -105.33 137.38 43.22 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.257 -0.902 . . . . 0.0 110.229 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' HB3' ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -58.3 124.92 21.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 110.225 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.01 72.86 0.85 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.888 . . . . 0.0 110.276 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 17' ' ' CYS . 0.2 OUTLIER -129.51 114.58 16.28 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 110.202 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.507 ' HB3' ' CA ' ' A' ' 4' ' ' CYS . 20.6 p 179.88 143.67 0.17 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.19 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.3 OUTLIER 58.2 154.19 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.295 -0.878 . . . . 0.0 110.254 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.811 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.177 0.513 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.511 ' HB3' ' CE3' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -147.93 128.17 13.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.332 -0.855 . . . . 0.0 110.236 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.511 ' CE3' ' HB3' ' A' ' 2' ' ' ARG . 2.6 m-90 38.75 90.15 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.544 -0.723 . . . . 0.0 110.621 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 17' ' ' CYS . 0.5 OUTLIER 62.1 136.86 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.24 -0.912 . . . . 0.0 110.221 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 14.0 m-85 -93.12 -156.28 0.47 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 109.964 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 10.4 ttp180 -179.7 80.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.215 -0.928 . . . . 0.0 110.265 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.5 t -121.27 98.27 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.0 110.168 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 14.8 m -74.09 119.64 18.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.222 -0.924 . . . . 0.0 110.307 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.417 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -96.12 38.86 1.16 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.301 -0.874 . . . . 0.0 110.069 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 0.3 OUTLIER 63.97 51.25 2.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.302 -0.874 . . . . 0.0 110.268 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.55 -44.81 0.47 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.52 134.99 27.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -1.113 . . . . 0.0 110.123 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -103.16 137.62 41.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.902 . . . . 0.0 110.368 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 140.87 56.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.313 -0.867 . . . . 0.0 110.086 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.8 77.84 1.39 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 110.252 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -120.49 106.5 11.87 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.211 -0.931 . . . . 0.0 110.134 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.508 ' N ' ' SG ' ' A' ' 4' ' ' CYS . 9.4 m -73.12 141.5 47.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.346 -0.846 . . . . 0.0 110.147 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' CD ' ' C ' ' A' ' 18' ' ' ARG . 0.8 OUTLIER 62.9 101.77 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.313 -0.867 . . . . 0.0 110.225 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.246 0.546 . . . . 0.0 110.151 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 4' ' ' CYS . 6.1 mtt85 -153.9 153.08 31.4 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.24 -0.912 . . . . 0.0 110.222 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 3' ' ' TRP . 40.7 p90 -61.39 78.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.372 -0.83 . . . . 0.0 110.209 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 2' ' ' ARG . 55.0 m -137.73 118.44 14.06 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.158 -0.964 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 3.2 p90 -178.69 -169.85 0.18 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.325 -0.859 . . . . 0.0 110.06 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.538 ' C ' HG23 ' A' ' 7' ' ' VAL . 51.5 ttt180 -177.86 -30.05 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.296 -0.877 . . . . 0.0 110.517 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.538 HG23 ' C ' ' A' ' 6' ' ' ARG . 64.4 t -153.02 115.8 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.166 -0.959 . . . . 0.0 110.336 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 m -100.12 110.27 22.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.321 -0.862 . . . . 0.0 110.414 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -86.85 41.96 0.99 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.354 -0.841 . . . . 0.0 109.982 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.07 46.38 8.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.288 -0.883 . . . . 0.0 109.938 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.05 -36.92 1.46 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.25 98.84 7.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.224 -1.162 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 94.2 m -100.64 139.19 36.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.253 -0.905 . . . . 0.0 110.174 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -56.42 169.34 0.45 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.411 -0.806 . . . . 0.0 110.247 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -129.0 77.39 1.79 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.907 . . . . 0.0 110.105 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -132.09 113.47 13.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 0.0 110.198 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.2 m -74.68 145.61 43.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 110.269 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -85.26 60.61 6.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 0.0 110.227 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.193 0.521 . . . . 0.0 110.22 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 1' ' ' ARG . 0.5 OUTLIER -177.46 116.3 0.09 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.339 -0.85 . . . . 0.0 110.236 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.526 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -132.84 90.1 2.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.312 -0.868 . . . . 0.0 110.23 -179.672 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.76 135.37 26.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.933 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 7' ' ' VAL . 59.4 m-85 -109.61 -40.49 4.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.303 -0.873 . . . . 0.0 110.142 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.528 ' CG ' ' O ' ' A' ' 5' ' ' PHE . 14.8 ptt-85 36.55 61.31 0.84 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.644 -0.66 . . . . 0.0 110.723 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 5' ' ' PHE . 39.4 t -120.17 93.33 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.885 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.506 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 12.1 m -81.62 131.21 35.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 110.286 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.456 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 2.9 m-85 -111.99 42.62 1.72 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.381 -0.824 . . . . 0.0 110.054 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.9 OUTLIER 60.22 57.04 3.06 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.244 -0.91 . . . . 0.0 110.189 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.47 -35.01 1.92 Allowed Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -135.15 118.65 16.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.285 -1.127 . . . . 0.0 110.264 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 28.5 t -128.06 140.74 51.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.309 -0.87 . . . . 0.0 110.205 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -97.49 92.26 5.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.427 -0.796 . . . . 0.0 110.309 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -107.92 81.83 1.56 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.362 -0.836 . . . . 0.0 110.129 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -121.16 122.96 41.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.254 -0.904 . . . . 0.0 110.251 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 111.41 4.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.274 -0.891 . . . . 0.0 110.23 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -142.75 87.27 1.98 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.29 -0.881 . . . . 0.0 110.241 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.864 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 34.1 m-85 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.169 0.509 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 7' ' ' VAL . 5.7 ttp180 57.86 105.72 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.316 -0.865 . . . . 0.0 110.238 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 6' ' ' ARG . 37.3 t -153.84 114.64 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.318 -0.863 . . . . 0.0 110.172 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 4.3 m . . . . . 0 N--CA 1.494 1.775 0 O-C-N 121.218 -0.926 . . . . 0.0 110.366 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.31 0.576 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -111.02 133.9 53.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.168 -0.958 . . . . 0.0 110.269 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.47 ' C ' ' CD ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -80.83 166.2 21.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.85 . . . . 0.0 110.278 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.543 ' HD3' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -175.34 79.02 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.219 -0.926 . . . . 0.0 110.683 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.24 112.62 13.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.035 . . . . 0.0 110.25 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.493 1.708 0 O-C-N 121.266 -0.896 . . . . 0.0 110.072 179.886 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.698 ' O ' HG23 ' A' ' 7' ' ' VAL . 30.4 m-85 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.306 0.574 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -48.17 121.54 4.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.346 -0.847 . . . . 0.0 110.25 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 5' ' ' PHE . 53.5 t -135.39 102.47 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.233 -0.917 . . . . 0.0 110.245 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.2 m . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.255 -0.903 . . . . 0.0 110.254 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.234 0.54 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.6 m -111.0 131.42 55.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 110.03 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.597 ' OH ' HG11 ' A' ' 7' ' ' VAL . 46.9 p90 -143.13 169.65 17.19 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.177 -0.952 . . . . 0.0 110.389 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.14 118.36 18.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.878 . . . . 0.0 110.096 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 177.83 130.3 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.254 -0.903 . . . . 0.0 110.213 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.321 -0.862 . . . . 0.0 110.114 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 46.2 m-85 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.257 0.551 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 3.3 ttm-85 -177.79 102.14 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.403 -0.81 . . . . 0.0 109.892 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 14' ' ' TYR . 60.4 t -139.56 109.28 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.264 -0.897 . . . . 0.0 110.376 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.505 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 14.2 m . . . . . 0 N--CA 1.493 1.692 0 O-C-N 121.335 -0.853 . . . . 0.0 110.202 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.272 0.558 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -98.58 136.12 39.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.235 -0.916 . . . . 0.0 110.324 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 7' ' ' VAL . 31.6 p90 -128.71 -160.97 1.07 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.4 -0.812 . . . . 0.0 110.277 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 5' ' ' PHE . 4.2 mpp_? -126.6 117.17 22.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.257 -0.902 . . . . 0.0 110.276 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 133.91 1.04 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.304 -0.872 . . . . 0.0 110.169 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.267 -0.896 . . . . 0.0 110.147 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.248 0.547 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.21 96.8 2.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.275 -0.891 . . . . 0.0 110.236 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.6 t -137.39 103.23 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.266 -0.896 . . . . 0.0 110.097 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.417 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 8.8 m . . . . . 0 N--CA 1.495 1.799 0 O-C-N 121.264 -0.898 . . . . 0.0 110.287 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.229 0.537 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -101.46 133.17 46.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.277 -0.889 . . . . 0.0 110.229 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.52 117.09 4.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.865 . . . . 0.0 110.311 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.51 74.96 1.48 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 110.152 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.5 102.83 4.42 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.221 -0.924 . . . . 0.0 109.998 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.366 -0.834 . . . . 0.0 110.223 -179.768 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.423 ' C ' ' HA ' ' A' ' 15' ' ' ARG . 4.2 m-30 . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 121.29 0.567 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 12.7 ttt-85 -48.87 103.93 0.05 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 110.371 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 7' ' ' VAL . 13.2 p -120.91 99.23 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.249 -0.907 . . . . 0.0 110.032 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 27.9 m . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.276 -0.89 . . . . 0.0 110.625 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.42 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 18.3 m-85 . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.394 0.616 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 80.7 m -92.54 128.56 38.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.368 -0.833 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.55 171.27 13.63 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.36 -0.837 . . . . 0.0 110.318 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -136.12 92.01 2.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.321 -0.862 . . . . 0.0 110.177 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -166.96 129.73 1.78 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.278 -0.889 . . . . 0.0 110.217 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.0 t . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.248 -0.907 . . . . 0.0 110.291 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.254 0.55 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.48 ' C ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER 62.56 81.97 0.19 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.142 -0.974 . . . . 0.0 110.201 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.48 HG23 ' C ' ' A' ' 6' ' ' ARG . 57.6 t -149.18 109.55 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.156 -0.965 . . . . 0.0 110.197 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.272 -0.893 . . . . 0.0 110.221 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.266 0.555 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 93.3 m -113.09 144.92 41.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.27 -0.894 . . . . 0.0 110.31 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.55 145.3 39.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.555 -0.716 . . . . 0.0 110.435 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.508 ' N ' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -162.14 137.84 7.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.32 -0.862 . . . . 0.0 109.895 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 170.75 128.56 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.109 -0.994 . . . . 0.0 110.116 -179.722 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.209 -0.932 . . . . 0.0 110.304 -179.932 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.341 0.591 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.511 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -54.98 137.3 46.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.0 110.203 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 21.1 t -134.98 105.44 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -0.852 . . . . 0.0 110.115 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 3.4 m . . . . . 0 N--CA 1.495 1.786 0 O-C-N 121.362 -0.836 . . . . 0.0 110.239 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.319 0.581 . . . . 0.0 110.109 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -115.26 135.56 54.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.214 -0.929 . . . . 0.0 110.371 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.511 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 36.5 p90 -147.96 -167.96 2.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.381 -0.824 . . . . 0.0 110.241 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -163.09 141.52 8.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.283 -0.886 . . . . 0.0 109.959 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -88.44 119.64 29.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.244 -0.91 . . . . 0.0 110.333 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.326 -0.859 . . . . 0.0 110.224 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 11.3 m-85 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 121.127 0.489 . . . . 0.0 109.85 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 7' ' ' VAL . 2.9 ttt180 -154.09 -37.7 0.1 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.229 -0.919 . . . . 0.0 110.548 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 6' ' ' ARG . 70.7 t -157.11 108.32 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.931 . . . . 0.0 110.601 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.502 ' HA ' ' CB ' ' A' ' 13' ' ' CYS . 15.8 m . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.294 -0.879 . . . . 0.0 110.123 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.251 0.548 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 23.5 t -124.82 147.52 48.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.327 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.507 ' CB ' ' HB3' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -50.31 156.69 0.8 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.946 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 14' ' ' TYR . 26.4 mtt-85 -141.85 83.53 1.85 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.206 -0.934 . . . . 0.0 110.283 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 17' ' ' CYS . 3.8 ttmm -133.26 111.44 10.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 5.6 p . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.361 -0.837 . . . . 0.0 110.124 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 40.3 m-85 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.287 0.565 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.561 ' C ' HG23 ' A' ' 7' ' ' VAL . 2.6 ttp180 -152.11 134.71 15.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.89 . . . . 0.0 110.157 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.561 HG23 ' C ' ' A' ' 6' ' ' ARG . 86.2 t -155.87 103.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.208 -0.933 . . . . 0.0 110.242 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.331 -0.855 . . . . 0.0 110.241 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.302 0.572 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 100.0 m -100.79 145.96 27.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.131 -0.98 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -99.42 160.9 13.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.474 -0.766 . . . . 0.0 110.581 -179.695 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -178.5 145.95 0.34 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.45 -0.781 . . . . 0.0 109.894 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -176.44 122.17 0.16 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.182 -0.949 . . . . 0.0 110.244 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.206 0.526 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.637 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.5 ttp180 -176.98 101.02 0.05 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.255 -0.903 . . . . 0.0 110.311 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 6' ' ' ARG . 38.7 t -157.08 94.61 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 110.143 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.196 -0.94 . . . . 0.0 110.328 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.244 0.545 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 91.8 m -117.88 134.4 54.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.71 122.0 19.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.315 -0.865 . . . . 0.0 110.253 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.99 76.07 1.22 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.307 -0.871 . . . . 0.0 110.216 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -118.41 115.07 23.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 0.0 110.245 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 6.1 p . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.281 -0.887 . . . . 0.0 110.185 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.359 0.6 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -114.93 114.93 26.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.216 -0.927 . . . . 0.0 110.171 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 27.0 t -146.39 109.7 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -0.928 . . . . 0.0 110.16 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.231 -0.918 . . . . 0.0 110.239 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.31 0.576 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 84.3 m -109.71 135.06 51.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.248 -0.907 . . . . 0.0 110.184 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -92.52 128.67 38.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 110.324 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.528 ' O ' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -150.04 94.97 2.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.254 -0.904 . . . . 0.0 110.011 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.13 123.45 18.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.925 . . . . 0.0 110.191 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.3 -0.875 . . . . 0.0 110.198 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.235 0.54 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -165.13 77.2 0.29 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.231 -0.918 . . . . 0.0 110.347 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 7' ' ' VAL . 47.9 t -117.4 92.71 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 110.228 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 3.9 m . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.326 -0.859 . . . . 0.0 110.394 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.379 0.609 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -96.03 136.28 36.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.309 -0.869 . . . . 0.0 110.362 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.465 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -70.86 124.24 23.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.448 -0.782 . . . . 0.0 110.45 -179.751 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HD2' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -146.45 95.51 2.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 0.0 110.148 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.3 124.2 12.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 0.0 110.244 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.4 m . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.325 -0.859 . . . . 0.0 110.144 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.205 0.526 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.676 ' O ' HG23 ' A' ' 7' ' ' VAL . 12.0 ptt85 -49.76 141.42 10.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 109.946 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 6' ' ' ARG . 25.2 t -158.25 118.51 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.111 -0.993 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 7.3 m . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 0.0 110.321 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.379 0.609 . . . . 0.0 110.145 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 82.5 m -105.01 133.28 50.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.847 . . . . 0.0 110.456 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.59 ' CE2' ' HB ' ' A' ' 7' ' ' VAL . 1.1 p90 -138.01 120.53 16.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.234 -0.916 . . . . 0.0 110.318 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.514 ' CD ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -128.02 114.52 17.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.45 -0.781 . . . . 0.0 110.076 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 12.4 tttp -85.19 116.05 23.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.247 -0.908 . . . . 0.0 110.275 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.514 ' SG ' ' CD ' ' A' ' 15' ' ' ARG . 71.3 m . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.254 -0.904 . . . . 0.0 110.246 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.44 ' HB2' ' HB3' ' A' ' 14' ' ' TYR . 83.9 m-85 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.27 0.557 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -164.14 77.24 0.36 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 0.0 110.221 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.72 103.55 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.169 -0.957 . . . . 0.0 110.28 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 7.7 m . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.201 -0.937 . . . . 0.0 110.189 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.202 0.525 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -105.33 137.38 43.22 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.257 -0.902 . . . . 0.0 110.229 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' HB3' ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -58.3 124.92 21.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 110.225 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.01 72.86 0.85 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.888 . . . . 0.0 110.276 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 17' ' ' CYS . 0.2 OUTLIER -129.51 114.58 16.28 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 110.202 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 20.6 p . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.19 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 14.0 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.229 0.538 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 10.4 ttp180 -179.7 80.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.215 -0.928 . . . . 0.0 110.265 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.5 t -121.27 98.27 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.0 110.168 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 14.8 m . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.222 -0.924 . . . . 0.0 110.307 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.223 0.535 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -103.16 137.62 41.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.902 . . . . 0.0 110.368 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 140.87 56.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.313 -0.867 . . . . 0.0 110.086 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.8 77.84 1.39 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 110.252 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -120.49 106.5 11.87 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.211 -0.931 . . . . 0.0 110.134 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.346 -0.846 . . . . 0.0 110.147 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 3.2 p90 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.189 0.518 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.538 ' C ' HG23 ' A' ' 7' ' ' VAL . 51.5 ttt180 -177.86 -30.05 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.296 -0.877 . . . . 0.0 110.517 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.538 HG23 ' C ' ' A' ' 6' ' ' ARG . 64.4 t -153.02 115.8 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.166 -0.959 . . . . 0.0 110.336 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.493 1.706 0 O-C-N 121.321 -0.862 . . . . 0.0 110.414 179.884 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.274 0.559 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 94.2 m -100.64 139.19 36.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.253 -0.905 . . . . 0.0 110.174 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -56.42 169.34 0.45 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.411 -0.806 . . . . 0.0 110.247 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.507 ' O ' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -129.0 77.39 1.79 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.907 . . . . 0.0 110.105 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -132.09 113.47 13.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 0.0 110.198 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.2 m . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 110.269 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 7' ' ' VAL . 59.4 m-85 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.079 0.466 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.528 ' CG ' ' O ' ' A' ' 5' ' ' PHE . 14.8 ptt-85 36.55 61.31 0.84 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.644 -0.66 . . . . 0.0 110.723 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 5' ' ' PHE . 39.4 t -120.17 93.33 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.885 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.506 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 12.1 m . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 110.286 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.223 0.535 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 28.5 t -128.06 140.74 51.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.309 -0.87 . . . . 0.0 110.205 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -97.49 92.26 5.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.427 -0.796 . . . . 0.0 110.309 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -107.92 81.83 1.56 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.362 -0.836 . . . . 0.0 110.129 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -121.16 122.96 41.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.254 -0.904 . . . . 0.0 110.251 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.274 -0.891 . . . . 0.0 110.23 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.246 0.546 . . . . 0.0 110.173 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.566 ' HB3' ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER 62.92 136.63 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.0 110.229 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 2' ' ' ARG . 3.7 m-90 39.67 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.42 -0.8 . . . . 0.0 110.486 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.457 ' O ' ' O ' ' A' ' 3' ' ' TRP . 0.8 OUTLIER 60.73 133.69 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.243 -0.911 . . . . 0.0 110.032 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 34.1 m-85 -97.61 -48.59 5.19 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.321 -0.862 . . . . 0.0 110.246 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 7' ' ' VAL . 5.7 ttp180 57.86 105.72 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.316 -0.865 . . . . 0.0 110.238 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 6' ' ' ARG . 37.3 t -153.84 114.64 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.318 -0.863 . . . . 0.0 110.172 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 4.3 m -86.22 123.07 31.08 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.218 -0.926 . . . . 0.0 110.366 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -98.79 44.06 1.04 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.345 -0.847 . . . . 0.0 110.105 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 20.0 mtt85 58.61 45.89 15.46 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.237 -0.914 . . . . 0.0 110.294 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.75 -41.87 0.68 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.73 125.88 40.79 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.199 -1.177 . . . . 0.0 110.226 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -111.02 133.9 53.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.168 -0.958 . . . . 0.0 110.269 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.47 ' C ' ' CD ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -80.83 166.2 21.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.85 . . . . 0.0 110.278 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.543 ' HD3' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -175.34 79.02 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.219 -0.926 . . . . 0.0 110.683 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.24 112.62 13.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.035 . . . . 0.0 110.25 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.02 136.8 33.43 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.266 -0.896 . . . . 0.0 110.072 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -175.15 97.25 0.08 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.241 -0.912 . . . . 0.0 110.227 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.821 -1.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 2' ' ' ARG . 5.7 ttm180 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.231 0.538 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 1' ' ' ARG . 1.7 ptt180 -178.06 167.37 2.01 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.249 -0.907 . . . . 0.0 110.479 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.422 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 7.1 p90 -119.63 90.9 3.42 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.701 -0.624 . . . . 0.0 110.069 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.671 ' H ' HG21 ' A' ' 7' ' ' VAL . 5.9 t -176.89 141.26 0.35 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.224 -0.923 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.698 ' O ' HG23 ' A' ' 7' ' ' VAL . 30.4 m-85 43.29 -167.58 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.479 -0.763 . . . . 0.0 110.326 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -48.17 121.54 4.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.346 -0.847 . . . . 0.0 110.25 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 5' ' ' PHE . 53.5 t -135.39 102.47 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.233 -0.917 . . . . 0.0 110.245 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.2 m -87.33 111.77 21.41 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.255 -0.903 . . . . 0.0 110.254 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -88.74 47.88 1.56 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.345 -0.847 . . . . 0.0 110.198 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 2.8 mtm180 56.11 48.73 16.96 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.311 -0.868 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.07 -42.98 0.68 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.53 125.06 44.96 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.153 -1.204 . . . . 0.0 110.415 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.6 m -111.0 131.42 55.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 110.03 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.597 ' OH ' HG11 ' A' ' 7' ' ' VAL . 46.9 p90 -143.13 169.65 17.19 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.177 -0.952 . . . . 0.0 110.389 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.14 118.36 18.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.296 -0.878 . . . . 0.0 110.096 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 177.83 130.3 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.254 -0.903 . . . . 0.0 110.213 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -122.33 127.6 50.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.321 -0.862 . . . . 0.0 110.114 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -75.88 -173.47 2.29 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.263 -0.898 . . . . 0.0 110.206 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.942 -1.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 2' ' ' ARG . 4.9 ttp85 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.172 0.51 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -178.15 148.46 0.5 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.327 -0.858 . . . . 0.0 110.257 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' ARG . 5.1 m95 43.89 85.15 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 0.0 110.098 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 4.3 t -171.86 141.22 1.36 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.225 -0.922 . . . . 0.0 110.328 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 46.2 m-85 55.51 18.27 2.62 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.419 -0.801 . . . . 0.0 110.056 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 3.3 ttm-85 -177.79 102.14 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.403 -0.81 . . . . 0.0 109.892 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 14' ' ' TYR . 60.4 t -139.56 109.28 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.264 -0.897 . . . . 0.0 110.376 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.505 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 14.2 m -82.47 114.85 21.18 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.335 -0.853 . . . . 0.0 110.202 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.431 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -90.39 43.33 1.14 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.408 -0.808 . . . . 0.0 110.147 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER 58.71 50.2 9.17 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.241 -0.912 . . . . 0.0 110.189 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.96 -50.9 0.31 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.99 134.63 31.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.284 -1.127 . . . . 0.0 110.138 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -98.58 136.12 39.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.235 -0.916 . . . . 0.0 110.324 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 7' ' ' VAL . 31.6 p90 -128.71 -160.97 1.07 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.4 -0.812 . . . . 0.0 110.277 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 5' ' ' PHE . 4.2 mpp_? -126.6 117.17 22.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.257 -0.902 . . . . 0.0 110.276 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 133.91 1.04 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.304 -0.872 . . . . 0.0 110.169 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.83 105.43 17.8 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.267 -0.896 . . . . 0.0 110.147 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -134.74 107.34 7.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.256 -0.902 . . . . 0.0 110.156 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 1.5 mpt_? . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.188 0.518 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.645 ' CB ' ' CE3' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -147.38 156.69 43.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.301 -0.875 . . . . 0.0 110.176 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.645 ' CE3' ' CB ' ' A' ' 2' ' ' ARG . 4.1 m-90 53.59 118.82 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.983 0 CA-C-O 121.598 0.713 . . . . 0.0 111.051 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.494 ' CB ' ' HA ' ' A' ' 17' ' ' CYS . 3.0 t -72.43 138.83 47.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.178 -0.952 . . . . 0.0 110.065 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 3' ' ' TRP . 53.4 m-85 -120.49 175.43 5.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.411 -0.806 . . . . 0.0 110.202 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -152.21 96.8 2.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.275 -0.891 . . . . 0.0 110.236 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.6 t -137.39 103.23 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.266 -0.896 . . . . 0.0 110.097 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 8.8 m -75.78 126.07 30.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.264 -0.898 . . . . 0.0 110.287 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.466 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 24.8 t80 -105.59 34.55 3.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.337 -0.852 . . . . 0.0 110.064 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER 66.5 46.5 1.87 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 0.0 110.198 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.96 -48.96 0.45 Allowed Glycine 0 N--CA 1.489 2.179 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -128.27 119.54 25.36 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.301 -1.117 . . . . 0.0 110.195 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -101.46 133.17 46.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.277 -0.889 . . . . 0.0 110.229 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.52 117.09 4.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.865 . . . . 0.0 110.311 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.51 74.96 1.48 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 110.152 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.5 102.83 4.42 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.221 -0.924 . . . . 0.0 109.998 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 13.3 m -88.57 134.73 33.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.366 -0.834 . . . . 0.0 110.223 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 3' ' ' TRP . 12.3 mtt180 -156.4 147.67 22.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 0.0 110.192 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.877 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.614 ' HA ' ' CZ2' ' A' ' 3' ' ' TRP . 10.8 mtt-85 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.285 0.564 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.522 ' O ' HG21 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -173.17 111.61 0.21 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.286 -0.884 . . . . 0.0 110.205 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.614 ' CZ2' ' HA ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER -130.77 97.31 4.31 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.398 -0.814 . . . . 0.0 110.16 -179.538 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.466 ' HA ' ' HB2' ' A' ' 17' ' ' CYS . 3.6 m -158.64 118.34 3.16 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.318 -0.864 . . . . 0.0 109.957 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.447 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 4.2 m-30 56.66 -164.11 0.16 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.335 -0.853 . . . . 0.0 110.14 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 15' ' ' ARG . 12.7 ttt-85 -48.87 103.93 0.05 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 110.371 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 7' ' ' VAL . 13.2 p -120.91 99.23 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.249 -0.907 . . . . 0.0 110.032 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 27.9 m -87.91 114.97 25.04 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.276 -0.89 . . . . 0.0 110.625 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -128.4 100.82 5.94 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.41 -0.806 . . . . 0.0 110.115 179.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 21.1 mtt180 64.13 36.77 9.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.336 -0.852 . . . . 0.0 110.687 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.81 76.71 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.42 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 18.3 m-85 -95.54 89.11 5.26 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.099 -1.236 . . . . 0.0 110.307 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 80.7 m -92.54 128.56 38.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.368 -0.833 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.55 171.27 13.63 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.36 -0.837 . . . . 0.0 110.318 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -136.12 92.01 2.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.321 -0.862 . . . . 0.0 110.177 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 11.5 tttp -166.96 129.73 1.78 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.278 -0.889 . . . . 0.0 110.217 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 37.0 t -132.54 149.19 52.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.248 -0.907 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' A' ' 19' ' ' NH2 . 30.1 ttt85 -131.79 159.48 38.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 110.253 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.481 ' N ' ' HG2' ' A' ' 18' ' ' ARG . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.229 0.538 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 3' ' ' TRP . 36.6 mtm-85 -137.76 123.39 19.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.268 -0.895 . . . . 0.0 110.225 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.462 ' O ' ' O ' ' A' ' 4' ' ' CYS . 6.3 m95 59.34 115.01 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.24 -0.913 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.462 ' O ' ' O ' ' A' ' 3' ' ' TRP . 72.5 m 56.79 113.36 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.363 -0.835 . . . . 0.0 110.14 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -92.93 -69.14 0.76 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.298 -0.876 . . . . 0.0 110.289 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.48 ' C ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER 62.56 81.97 0.19 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.142 -0.974 . . . . 0.0 110.201 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.48 HG23 ' C ' ' A' ' 6' ' ' ARG . 57.6 t -149.18 109.55 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.156 -0.965 . . . . 0.0 110.197 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.9 m -99.3 113.42 25.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.272 -0.893 . . . . 0.0 110.221 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -94.24 49.49 1.31 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.348 -0.845 . . . . 0.0 110.204 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 46.93 47.73 15.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 0.0 110.152 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.81 -46.21 0.37 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -125.59 125.12 42.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.247 -1.149 . . . . 0.0 110.2 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 93.3 m -113.09 144.92 41.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.27 -0.894 . . . . 0.0 110.31 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.55 145.3 39.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.555 -0.716 . . . . 0.0 110.435 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.508 ' N ' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -162.14 137.84 7.48 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.32 -0.862 . . . . 0.0 109.895 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 170.75 128.56 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.109 -0.994 . . . . 0.0 110.116 -179.722 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -138.15 145.44 41.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.209 -0.932 . . . . 0.0 110.304 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.4 54.28 0.8 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.154 -0.966 . . . . 0.0 110.259 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 2' ' ' ARG . 10.8 ttt180 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.255 0.55 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.564 ' CD ' ' N ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -172.92 144.38 1.29 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.242 -0.912 . . . . 0.0 110.15 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.418 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 1.9 m95 57.14 87.86 0.06 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.234 -0.916 . . . . 0.0 110.167 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.441 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER 178.71 134.44 0.08 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.248 -0.908 . . . . 0.0 110.051 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 4' ' ' CYS . 17.7 m-85 -134.82 112.22 10.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.262 -0.899 . . . . 0.0 110.147 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.511 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -54.98 137.3 46.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.273 -0.892 . . . . 0.0 110.203 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 21.1 t -134.98 105.44 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -0.852 . . . . 0.0 110.115 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 3.4 m -83.81 116.6 22.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.362 -0.836 . . . . 0.0 110.239 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.88 52.14 2.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.323 -0.861 . . . . 0.0 110.136 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 51.55 46.56 26.32 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.177 -0.952 . . . . 0.0 110.254 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.77 -38.65 1.12 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.76 124.67 43.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.286 -1.126 . . . . 0.0 110.109 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -115.26 135.56 54.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.214 -0.929 . . . . 0.0 110.371 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.511 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 36.5 p90 -147.96 -167.96 2.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.381 -0.824 . . . . 0.0 110.241 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -163.09 141.52 8.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.283 -0.886 . . . . 0.0 109.959 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -88.44 119.64 29.06 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.244 -0.91 . . . . 0.0 110.333 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.2 147.7 48.94 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.326 -0.859 . . . . 0.0 110.224 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.65 176.96 7.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.261 -0.899 . . . . 0.0 110.211 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.943 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.238 0.542 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.598 ' HB3' ' CE3' ' A' ' 3' ' ' TRP . 2.5 mtt180 -154.44 132.13 11.44 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.237 -0.915 . . . . 0.0 110.18 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.598 ' CE3' ' HB3' ' A' ' 2' ' ' ARG . 2.8 m-90 38.41 84.78 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.509 -0.744 . . . . 0.0 110.601 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.548 ' SG ' ' CZ ' ' A' ' 5' ' ' PHE . 48.5 t -165.98 154.21 10.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.272 -0.892 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.548 ' CZ ' ' SG ' ' A' ' 4' ' ' CYS . 11.3 m-85 71.21 171.36 0.32 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.719 -0.613 . . . . 0.0 109.85 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 7' ' ' VAL . 2.9 ttt180 -154.09 -37.7 0.1 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.229 -0.919 . . . . 0.0 110.548 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 6' ' ' ARG . 70.7 t -157.11 108.32 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.211 -0.931 . . . . 0.0 110.601 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.502 ' HA ' ' CB ' ' A' ' 13' ' ' CYS . 15.8 m -89.92 125.63 35.43 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.294 -0.879 . . . . 0.0 110.123 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -101.4 52.01 0.84 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.882 . . . . 0.0 110.285 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 49.5 mtt180 55.49 45.65 24.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.274 -0.891 . . . . 0.0 110.231 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.14 -43.65 0.85 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.63 111.69 20.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.237 -1.155 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 23.5 t -124.82 147.52 48.68 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.327 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.507 ' CB ' ' HB3' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -50.31 156.69 0.8 Allowed 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.946 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 14' ' ' TYR . 26.4 mtt-85 -141.85 83.53 1.85 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.206 -0.934 . . . . 0.0 110.283 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 3.8 ttmm -133.26 111.44 10.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 3' ' ' TRP . 5.6 p 178.23 142.78 0.1 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.361 -0.837 . . . . 0.0 110.124 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -110.63 140.89 44.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.349 -0.844 . . . . 0.0 110.209 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.927 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.213 0.53 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -102.73 153.42 20.16 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.281 -0.887 . . . . 0.0 110.264 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.568 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 33.9 p90 -58.95 79.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.394 -0.816 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -124.58 133.13 53.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.301 -0.875 . . . . 0.0 110.17 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 40.3 m-85 -90.05 161.86 15.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.0 110.294 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.561 ' C ' HG23 ' A' ' 7' ' ' VAL . 2.6 ttp180 -152.11 134.71 15.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.89 . . . . 0.0 110.157 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.561 HG23 ' C ' ' A' ' 6' ' ' ARG . 86.2 t -155.87 103.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.208 -0.933 . . . . 0.0 110.242 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.7 m -91.81 120.7 32.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.331 -0.855 . . . . 0.0 110.241 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -101.57 45.63 0.96 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.301 -0.874 . . . . 0.0 110.124 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 51.05 52.98 13.84 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.282 -0.886 . . . . 0.0 110.248 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.45 -49.96 0.29 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -138.13 127.72 25.0 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.29 -1.124 . . . . 0.0 110.124 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 100.0 m -100.79 145.96 27.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.131 -0.98 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -99.42 160.9 13.94 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.474 -0.766 . . . . 0.0 110.581 -179.695 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -178.5 145.95 0.34 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.45 -0.781 . . . . 0.0 109.894 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -176.44 122.17 0.16 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.182 -0.949 . . . . 0.0 110.244 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.86 106.95 17.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 179.48 -44.64 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.237 -0.914 . . . . 0.0 110.241 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.842 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.29 0.567 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 3' ' ' TRP . 0.0 OUTLIER -149.9 122.01 8.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.291 -0.881 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.478 ' O ' ' CB ' ' A' ' 4' ' ' CYS . 4.6 m95 63.26 123.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 0.0 110.235 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 3' ' ' TRP . 0.5 OUTLIER 66.77 138.66 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.182 -0.949 . . . . 0.0 110.273 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -113.73 -150.22 0.46 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.321 -0.862 . . . . 0.0 110.139 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.637 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.5 ttp180 -176.98 101.02 0.05 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.255 -0.903 . . . . 0.0 110.311 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 6' ' ' ARG . 38.7 t -157.08 94.61 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 110.143 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.5 m -82.88 120.58 25.84 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.196 -0.94 . . . . 0.0 110.328 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 10' ' ' ARG . 54.7 t80 -97.68 43.96 1.05 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 0.0 110.143 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 66.54 46.25 1.9 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.328 -0.858 . . . . 0.0 110.295 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.87 -41.01 1.1 Allowed Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.16 124.56 52.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.239 -1.154 . . . . 0.0 110.212 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 91.8 m -117.88 134.4 54.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.71 122.0 19.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.315 -0.865 . . . . 0.0 110.253 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.99 76.07 1.22 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.307 -0.871 . . . . 0.0 110.216 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -118.41 115.07 23.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.223 -0.923 . . . . 0.0 110.245 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 6.1 p 178.68 149.57 0.23 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.281 -0.887 . . . . 0.0 110.185 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 53.61 69.47 0.7 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.26 -0.9 . . . . 0.0 110.162 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.927 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.31 0.576 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.58 ' HB3' ' CE3' ' A' ' 3' ' ' TRP . 8.4 mtp180 -133.07 107.35 8.18 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.221 -0.924 . . . . 0.0 110.185 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.58 ' CE3' ' HB3' ' A' ' 2' ' ' ARG . 4.5 m-90 40.94 82.71 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.421 -0.799 . . . . 0.0 110.47 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.1 m -137.74 116.4 12.17 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.308 -0.87 . . . . 0.0 110.115 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -90.81 122.23 33.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.277 -0.889 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -114.93 114.93 26.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.216 -0.927 . . . . 0.0 110.171 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 27.0 t -146.39 109.7 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -0.928 . . . . 0.0 110.16 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.1 m -97.27 116.76 30.07 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.231 -0.918 . . . . 0.0 110.239 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.465 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 1.8 t80 -96.55 40.7 1.12 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.324 -0.86 . . . . 0.0 110.095 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER 64.65 51.37 1.92 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.367 -0.833 . . . . 0.0 110.386 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.29 -38.88 1.42 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -117.11 112.34 20.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.213 -1.169 . . . . 0.0 110.253 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 84.3 m -109.71 135.06 51.25 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.248 -0.907 . . . . 0.0 110.184 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -92.52 128.67 38.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.372 -0.83 . . . . 0.0 110.324 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.528 ' O ' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -150.04 94.97 2.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.254 -0.904 . . . . 0.0 110.011 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.13 123.45 18.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.925 . . . . 0.0 110.191 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.2 m -116.71 95.5 5.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.3 -0.875 . . . . 0.0 110.198 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -121.63 -67.06 0.99 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.267 -0.896 . . . . 0.0 110.253 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.914 -1.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.541 ' HA ' ' CZ2' ' A' ' 3' ' ' TRP . 8.1 ttt180 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.276 0.56 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.538 ' C ' ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -179.99 83.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 0.0 110.232 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.541 ' CZ2' ' HA ' ' A' ' 1' ' ' ARG . 3.0 m95 -105.5 89.24 3.05 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.627 -0.671 . . . . 0.0 110.122 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 91.2 m -137.12 138.22 40.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.245 -0.909 . . . . 0.0 110.319 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -129.26 177.51 7.11 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.412 -0.805 . . . . 0.0 110.084 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -165.13 77.2 0.29 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.231 -0.918 . . . . 0.0 110.347 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 7' ' ' VAL . 47.9 t -117.4 92.71 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 110.228 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 3.9 m -66.57 129.43 39.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.326 -0.859 . . . . 0.0 110.394 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -147.46 103.62 3.56 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.451 -0.781 . . . . 0.0 110.16 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.81 36.73 15.97 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.356 -0.84 . . . . 0.0 110.523 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.35 -13.5 59.95 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.51 89.31 5.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.136 -1.214 . . . . 0.0 110.223 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -96.03 136.28 36.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.309 -0.869 . . . . 0.0 110.362 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.465 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -70.86 124.24 23.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.448 -0.782 . . . . 0.0 110.45 -179.751 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HD2' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -146.45 95.51 2.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 0.0 110.148 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.3 124.2 12.01 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.266 -0.896 . . . . 0.0 110.244 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 64.4 m -141.15 144.91 35.09 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.325 -0.859 . . . . 0.0 110.144 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 17' ' ' CYS . 1.6 ttm180 66.54 -76.7 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.344 -0.847 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.233 0.539 . . . . 0.0 110.314 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.584 ' HB3' ' CE3' ' A' ' 3' ' ' TRP . 7.6 mpt_? 55.76 110.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.236 -0.915 . . . . 0.0 110.167 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 2' ' ' ARG . 4.6 m-90 40.29 88.72 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.421 -0.799 . . . . 0.0 110.434 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 33.7 m -152.03 136.01 16.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.296 -0.877 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -127.66 50.94 1.98 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 0.0 110.371 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.676 ' O ' HG23 ' A' ' 7' ' ' VAL . 12.0 ptt85 -49.76 141.42 10.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 109.946 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 6' ' ' ARG . 25.2 t -158.25 118.51 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.111 -0.993 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 7.3 m -95.01 122.47 37.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.372 -0.83 . . . . 0.0 110.321 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -115.72 84.65 2.14 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.309 -0.869 . . . . 0.0 110.089 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 4.0 mmt180 57.57 39.51 27.64 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.315 -0.866 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 111.16 -30.04 8.3 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -82.74 94.58 7.64 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.221 -1.164 . . . . 0.0 110.145 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 82.5 m -105.01 133.28 50.06 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.847 . . . . 0.0 110.456 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.59 ' CE2' ' HB ' ' A' ' 7' ' ' VAL . 1.1 p90 -138.01 120.53 16.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.234 -0.916 . . . . 0.0 110.318 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.514 ' CD ' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -128.02 114.52 17.2 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.45 -0.781 . . . . 0.0 110.076 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 12.4 tttp -85.19 116.05 23.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.247 -0.908 . . . . 0.0 110.275 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.514 ' SG ' ' CD ' ' A' ' 15' ' ' ARG . 71.3 m -149.96 119.15 6.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.254 -0.904 . . . . 0.0 110.246 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.99 108.18 9.91 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.246 -0.909 . . . . 0.0 110.181 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.844 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.227 0.536 . . . . 0.0 110.196 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER 60.7 128.82 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 0.0 110.072 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.48 ' O ' ' CB ' ' A' ' 4' ' ' CYS . 5.4 m95 61.27 124.87 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -0.909 . . . . 0.0 110.117 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.507 ' CA ' ' HB3' ' A' ' 17' ' ' CYS . 0.5 OUTLIER 68.56 139.43 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.18 -0.95 . . . . 0.0 110.192 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' HB2' ' HB3' ' A' ' 14' ' ' TYR . 83.9 m-85 -124.89 -167.72 1.71 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.367 -0.833 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -164.14 77.24 0.36 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.236 -0.915 . . . . 0.0 110.221 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.72 103.55 4.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.169 -0.957 . . . . 0.0 110.28 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 7.7 m -79.62 118.32 21.35 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.201 -0.937 . . . . 0.0 110.189 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -97.69 45.43 1.03 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.264 -0.897 . . . . 0.0 110.206 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 53.05 53.11 12.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.263 -0.898 . . . . 0.0 110.271 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.32 -43.78 0.53 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.47 129.54 23.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -1.151 . . . . 0.0 110.253 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -105.33 137.38 43.22 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.257 -0.902 . . . . 0.0 110.229 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' HB3' ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -58.3 124.92 21.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 110.225 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.01 72.86 0.85 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.888 . . . . 0.0 110.276 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 17' ' ' CYS . 0.2 OUTLIER -129.51 114.58 16.28 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 110.202 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.507 ' HB3' ' CA ' ' A' ' 4' ' ' CYS . 20.6 p 179.88 143.67 0.17 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.358 -0.839 . . . . 0.0 110.19 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 17' ' ' CYS . 0.3 OUTLIER 58.2 154.19 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.295 -0.878 . . . . 0.0 110.254 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.811 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.177 0.513 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.511 ' HB3' ' CE3' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -147.93 128.17 13.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.332 -0.855 . . . . 0.0 110.236 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.511 ' CE3' ' HB3' ' A' ' 2' ' ' ARG . 2.6 m-90 38.75 90.15 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.544 -0.723 . . . . 0.0 110.621 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 17' ' ' CYS . 0.5 OUTLIER 62.1 136.86 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.24 -0.912 . . . . 0.0 110.221 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 14.0 m-85 -93.12 -156.28 0.47 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 109.964 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 10.4 ttp180 -179.7 80.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.215 -0.928 . . . . 0.0 110.265 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 38.5 t -121.27 98.27 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.182 -0.949 . . . . 0.0 110.168 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 14.8 m -74.09 119.64 18.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.222 -0.924 . . . . 0.0 110.307 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.417 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -96.12 38.86 1.16 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.301 -0.874 . . . . 0.0 110.069 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 9' ' ' TYR . 0.3 OUTLIER 63.97 51.25 2.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.302 -0.874 . . . . 0.0 110.268 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.55 -44.81 0.47 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.52 134.99 27.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -1.113 . . . . 0.0 110.123 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -103.16 137.62 41.08 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.256 -0.902 . . . . 0.0 110.368 -179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 140.87 56.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.313 -0.867 . . . . 0.0 110.086 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.8 77.84 1.39 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 110.252 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -120.49 106.5 11.87 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.211 -0.931 . . . . 0.0 110.134 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.508 ' N ' ' SG ' ' A' ' 4' ' ' CYS . 9.4 m -73.12 141.5 47.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.346 -0.846 . . . . 0.0 110.147 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.8 OUTLIER 62.9 101.77 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.313 -0.867 . . . . 0.0 110.225 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.246 0.546 . . . . 0.0 110.151 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 4' ' ' CYS . 6.1 mtt85 -153.9 153.08 31.4 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.24 -0.912 . . . . 0.0 110.222 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.591 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 40.7 p90 -61.39 78.01 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.372 -0.83 . . . . 0.0 110.209 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 2' ' ' ARG . 55.0 m -137.73 118.44 14.06 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.158 -0.964 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 3.2 p90 -178.69 -169.85 0.18 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.325 -0.859 . . . . 0.0 110.06 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.538 ' C ' HG23 ' A' ' 7' ' ' VAL . 51.5 ttt180 -177.86 -30.05 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.296 -0.877 . . . . 0.0 110.517 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.538 HG23 ' C ' ' A' ' 6' ' ' ARG . 64.4 t -153.02 115.8 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.166 -0.959 . . . . 0.0 110.336 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 m -100.12 110.27 22.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.321 -0.862 . . . . 0.0 110.414 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -86.85 41.96 0.99 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.354 -0.841 . . . . 0.0 109.982 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.07 46.38 8.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.288 -0.883 . . . . 0.0 109.938 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.05 -36.92 1.46 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.25 98.84 7.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.224 -1.162 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 94.2 m -100.64 139.19 36.68 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.253 -0.905 . . . . 0.0 110.174 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -56.42 169.34 0.45 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.411 -0.806 . . . . 0.0 110.247 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.507 ' O ' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -129.0 77.39 1.79 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.248 -0.907 . . . . 0.0 110.105 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -132.09 113.47 13.38 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 0.0 110.198 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.2 m -74.68 145.61 43.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 110.269 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -85.26 60.61 6.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.188 -0.945 . . . . 0.0 110.227 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.193 0.521 . . . . 0.0 110.22 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 1' ' ' ARG . 0.5 OUTLIER -177.46 116.3 0.09 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.339 -0.85 . . . . 0.0 110.236 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.526 ' CD2' ' N ' ' A' ' 3' ' ' TRP . 0.3 OUTLIER -132.84 90.1 2.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.312 -0.868 . . . . 0.0 110.23 -179.672 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.76 135.37 26.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.933 . . . . 0.0 110.256 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 7' ' ' VAL . 59.4 m-85 -109.61 -40.49 4.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.303 -0.873 . . . . 0.0 110.142 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.528 ' CG ' ' O ' ' A' ' 5' ' ' PHE . 14.8 ptt-85 36.55 61.31 0.84 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.644 -0.66 . . . . 0.0 110.723 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 5' ' ' PHE . 39.4 t -120.17 93.33 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 109.885 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.506 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 12.1 m -81.62 131.21 35.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 110.286 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.456 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 2.9 m-85 -111.99 42.62 1.72 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.381 -0.824 . . . . 0.0 110.054 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' A' ' 9' ' ' TYR . 0.9 OUTLIER 60.22 57.04 3.06 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.244 -0.91 . . . . 0.0 110.189 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.47 -35.01 1.92 Allowed Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -135.15 118.65 16.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.285 -1.127 . . . . 0.0 110.264 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 8' ' ' CYS . 28.5 t -128.06 140.74 51.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.309 -0.87 . . . . 0.0 110.205 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -97.49 92.26 5.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.427 -0.796 . . . . 0.0 110.309 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -107.92 81.83 1.56 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.362 -0.836 . . . . 0.0 110.129 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -121.16 122.96 41.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.254 -0.904 . . . . 0.0 110.251 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 111.41 4.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.274 -0.891 . . . . 0.0 110.23 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -142.75 87.27 1.98 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.29 -0.881 . . . . 0.0 110.241 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.864 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_