data_2nbl_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 2nbl _Structure_validation_residue.Date_analyzed 2017-03-07 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 ' 2' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 111.159 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.0 tp . . . . . 0 N--CA 1.467 0.391 0 CA-C-O 120.931 0.396 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.491 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.462 0.135 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 5' ' ' VAL . 32.3 m . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.965 0.412 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.469 0.845 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.657 ' CG1' ' H ' ' A' ' 9' ' ' THR . 39.4 t 88.66 179.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.924 0.89 . . . . 0.0 110.262 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.657 ' H ' ' CG1' ' A' ' 8' ' ' VAL . 75.9 p 66.94 161.35 0.16 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.577 0.751 . . . . 0.0 112.367 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.6 tt -163.92 -45.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.552 -1.203 . . . . 0.0 110.821 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 12' ' ' MET . 16.7 ptm180 -84.15 -173.88 4.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.438 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.439 ' O ' ' O ' ' A' ' 11' ' ' ARG . 16.6 tpt 59.15 142.11 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.558 ' HD3' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.184 0 CA-C-O 121.073 0.464 . . . . 0.0 111.164 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.765 0.317 . . . . 0.0 111.459 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 . . . . . 0 N--CA 1.467 0.406 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.35 -179.752 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.486 ' CE1' ' CD2' ' A' ' 29' ' ' HIS . 8.6 p90 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.736 0.303 . . . . 0.0 111.437 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -110.16 141.06 43.59 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 p -152.39 132.43 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.936 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.525 ' CD ' ' N ' ' A' ' 21' ' ' GLN . 2.9 pm0 -149.95 153.03 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.438 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.43 ' CG2' ' NZ ' ' A' ' 25' ' ' LYS . 34.9 m . . . . . 0 N--CA 1.463 0.194 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' NZ ' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.91 0.386 . . . . 0.0 110.414 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.53 ' CD ' ' N ' ' A' ' 26' ' ' GLU . 8.3 mp0 . . . . . 0 C--O 1.234 0.28 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.519 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 111.884 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.3 mttt . . . . . 0 C--O 1.238 0.483 0 CA-C-O 121.324 0.583 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.506 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 8.9 p80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.975 0.417 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.589 0.233 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.657 ' CG2' ' HE2' ' A' ' 29' ' ' HIS . 11.8 tt . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 9' ' ' THR . 41.0 ttm180 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.657 0.265 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 57.7 t . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.735 0.303 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.467 0.746 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 7' ' ' GLY . 30.1 m 47.73 159.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.596 0.712 . . . . 0.0 112.398 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 10' ' ' ILE . 96.9 m -151.46 169.62 21.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.502 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.482 ' N ' ' CG2' ' A' ' 9' ' ' THR . 31.4 pt -69.4 -161.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 0.0 111.329 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -73.15 156.92 38.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 13' ' ' ARG . 65.8 mtt -151.61 123.2 7.91 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.732 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' MET . 54.4 mtp85 . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 121.327 0.584 . . . . 0.0 112.055 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 121.222 0.534 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.415 ' CZ ' ' CD1' ' A' ' 3' ' ' ILE . 5.2 p90 . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.971 0.415 . . . . 0.0 111.459 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -95.19 140.59 29.89 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.152 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 20' ' ' VAL . 12.8 p -130.22 93.06 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-O 121.149 0.5 . . . . 0.0 109.882 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.704 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 1.3 mp0 -100.45 147.53 25.76 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.706 -179.484 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' NZ ' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.083 0.468 . . . . 0.0 110.603 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' PHE . 4.6 mm-40 . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.535 0.365 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.237 0.433 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.657 ' HE2' ' CG2' ' A' ' 3' ' ' ILE . 20.3 p-80 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 121.053 0.454 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 75.6 mt . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 120.945 0.402 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.423 0.63 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -85.11 125.21 40.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.5 p -130.06 161.27 31.39 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.915 0.864 . . . . 0.0 112.629 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.3 tt -159.96 153.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.08 -1.418 . . . . 0.0 109.473 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -138.07 40.71 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 mmt -88.34 144.81 26.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.988 0.423 . . . . 0.0 110.751 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.197 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.483 ' OG ' ' ND1' ' A' ' 16' ' ' HIS . 82.2 p . . . . . 0 C--O 1.231 0.131 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.483 ' ND1' ' OG ' ' A' ' 15' ' ' SER . 22.1 p-80 . . . . . 0 C--N 1.32 -0.689 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.437 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.526 ' O ' ' CE1' ' A' ' 29' ' ' HIS . 8.2 m-85 . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -96.88 134.91 39.59 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.662 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 28' ' ' LYS . 9.8 p -137.7 128.96 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -134.88 138.15 43.88 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 CA--C 1.536 0.421 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.404 -178.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.512 ' NZ ' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.689 0.281 . . . . 0.0 110.274 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.52 ' CD ' ' N ' ' A' ' 26' ' ' GLU . 8.3 mp0 . . . . . 0 C--O 1.235 0.296 0 CA-C-O 121.05 0.452 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 20' ' ' VAL . 75.6 mmtt . . . . . 0 C--O 1.237 0.423 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.683 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 36.6 t-80 . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 122.019 0.914 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.504 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.353 0.121 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 4' ' ' ARG . 23.5 pt . . . . . 0 CA--C 1.546 0.793 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.505 HH11 ' C ' ' A' ' 13' ' ' ARG . 79.4 mtp180 . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.653 ' CG2' ' H ' ' A' ' 9' ' ' THR . 7.4 p . . . . . 0 C--O 1.23 0.076 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.729 0 CA-C-O 120.008 -0.329 . . . . 0.0 113.588 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.419 ' H ' ' HB ' ' A' ' 5' ' ' VAL . 58.3 t 56.02 68.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.66 0.743 . . . . 0.0 109.695 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.653 ' H ' ' CG2' ' A' ' 5' ' ' VAL . 71.6 p -144.12 -161.21 1.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.46 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.58 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.4 mp -102.22 -47.49 11.11 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.694 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -43.16 161.88 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.398 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.567 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -160.99 178.17 9.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.512 -178.312 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.505 ' C ' HH11 ' A' ' 4' ' ' ARG . 8.3 ptm180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.211 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.5 m . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 121.202 0.525 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.568 -179.892 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.456 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 5.7 m-85 . . . . . 0 N--CA 1.462 0.156 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -128.21 146.37 50.75 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.144 0.497 . . . . 0.0 111.844 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.469 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 11.1 p -163.08 93.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.447 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.685 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 1.0 OUTLIER -98.85 99.91 11.04 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.339 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 120.593 -0.443 . . . . 0.0 112.135 -177.705 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.589 ' CB ' ' HZ3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.0 mp0 . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 120.511 0.196 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.066 0.46 . . . . 0.0 110.749 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 10.8 mptt . . . . . 0 N--CA 1.446 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.418 ' ND1' ' C ' ' A' ' 29' ' ' HIS . 23.3 t-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.014 0.435 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.588 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.059 0.457 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 CA--C 1.522 -0.135 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.418 0.628 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.804 0 CA-C-O 120.38 -0.122 . . . . 0.0 113.402 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 9' ' ' THR . 7.7 p -104.43 159.96 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 116.967 0.384 . . . . 0.0 111.336 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.41 ' N ' ' CG2' ' A' ' 8' ' ' VAL . 95.5 m -118.91 129.11 55.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.704 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.567 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.3 mp -104.26 124.58 58.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 121.483 0.659 . . . . 0.0 111.593 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -68.64 171.72 7.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.654 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.569 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.3 OUTLIER -72.66 100.27 2.77 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.823 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.531 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 30.1 tpt180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.382 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.527 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 54.5 m . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' ND1' ' C ' ' A' ' 15' ' ' SER . 25.2 p-80 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.479 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 13' ' ' ARG . 6.4 m-85 . . . . . 0 N--CA 1.47 0.543 0 CA-C-O 121.05 0.452 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -121.86 138.65 54.31 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.842 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.541 ' CG1' ' H ' ' A' ' 26' ' ' GLU . 10.1 p -115.84 169.17 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.516 ' OE1' ' C ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -172.36 48.62 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.333 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.526 -179.072 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.167 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.541 ' H ' ' CG1' ' A' ' 20' ' ' VAL . 9.2 mp0 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 121.195 0.521 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.431 ' CD2' ' O ' ' A' ' 29' ' ' HIS . 9.3 m-30 . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 120.852 0.358 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 97.4 mttt . . . . . 0 C--O 1.236 0.378 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.431 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 25.9 t-80 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.832 0.349 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.587 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 8.6 mp0 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 120.579 0.228 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 pt . . . . . 0 N--CA 1.465 0.318 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.532 ' NH2' ' CB ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.772 0.32 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.48 ' CG2' ' N ' ' A' ' 4' ' ' ARG . 9.2 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.015 0.436 . . . . 0.0 111.769 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 112.77 -0.132 . . . . 0.0 112.77 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.7 t -81.08 116.97 26.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -77.76 147.85 35.12 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.482 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.479 ' O ' ' OE1' ' A' ' 2' ' ' GLU . 49.3 mm -129.54 121.1 52.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.176 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.485 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -156.11 31.49 0.34 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.54 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.456 ' O ' ' O ' ' A' ' 13' ' ' ARG . 68.9 mtm -118.2 130.81 56.3 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 12' ' ' MET . 55.5 mtp85 . . . . . 0 CA--C 1.516 -0.33 0 CA-C-O 121.324 0.583 . . . . 0.0 111.877 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.603 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 36.3 t-80 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 114.32 -1.309 . . . . 0.0 109.225 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 N--CA 1.47 0.562 0 CA-C-O 120.835 0.35 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -126.99 136.32 52.08 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.756 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.1 t -137.18 138.46 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.151 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.514 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -156.73 62.99 0.52 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.811 0.815 . . . . 0.0 111.488 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 CA--C 1.534 0.346 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.461 -179.291 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' NZ ' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.53 ' CD ' ' N ' ' A' ' 26' ' ' GLU . 8.4 mp0 . . . . . 0 C--O 1.244 0.788 0 CA-C-O 121.78 0.8 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.526 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.426 0 CA-C-O 121.231 0.539 . . . . 0.0 112.239 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 29' ' ' HIS . 61.1 mttp . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.551 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 28.9 t-80 . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 121.174 0.511 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 120.629 0.252 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.554 ' CG1' ' HE2' ' A' ' 29' ' ' HIS . 1.8 pp . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 121.156 0.503 . . . . 0.0 111.654 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.418 ' N ' ' CG2' ' A' ' 5' ' ' VAL . 40.2 ptt85 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.418 ' CG2' ' N ' ' A' ' 4' ' ' ARG . 14.7 p . . . . . 0 C--O 1.232 0.173 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.463 0.466 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 7' ' ' GLY . 25.9 m -52.75 -168.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.191 -0.504 . . . . 0.0 110.457 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' VAL . 9.5 t -43.56 167.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.136 0.493 . . . . 0.0 110.673 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.452 HD13 HG21 ' A' ' 10' ' ' ILE . 80.7 mt -102.73 -42.77 8.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.117 -178.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -68.55 43.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.251 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.565 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.3 OUTLIER -103.24 119.47 38.93 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.058 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.515 ' O ' ' SD ' ' A' ' 12' ' ' MET . 41.2 ttm180 . . . . . 0 N--CA 1.462 0.17 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 121.309 0.576 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.5 m80 . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.596 179.882 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 19' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 122.0 0.905 . . . . 0.0 112.54 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.653 ' CE3' ' CE2' ' A' ' 27' ' ' PHE . 24.8 m95 -146.09 -178.66 6.25 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.888 -0.507 . . . . 0.0 111.549 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.25 113.5 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 2.8 pm0 -138.02 123.85 19.99 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.025 -177.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -178.52 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.516 ' CB ' ' HZ1' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.584 0.23 . . . . 0.0 110.461 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.6 mp0 . . . . . 0 C--O 1.234 0.252 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.653 ' CE2' ' CE3' ' A' ' 19' ' ' TRP . 11.8 m-30 . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 121.002 0.43 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' N ' ' CE3' ' A' ' 19' ' ' TRP . 75.5 mmtt . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.554 ' HE2' ' CG1' ' A' ' 3' ' ' ILE . 31.9 t-80 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.953 0.406 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.4 tp . . . . . 0 N--CA 1.463 0.194 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.734 ' N ' ' NE ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.115 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.556 ' C ' ' NE ' ' A' ' 4' ' ' ARG . 35.7 m . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 121.361 0.6 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.416 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.529 HG23 ' H ' ' A' ' 10' ' ' ILE . 13.1 p -113.17 144.2 21.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 t -113.02 10.63 18.83 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.552 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -153.56 -148.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.716 177.351 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.655 ' C ' ' NE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -82.58 -175.93 6.0 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -179.012 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 96.1 mmm -132.69 144.22 50.16 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.025 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.308 179.675 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 47.9 t . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 121.113 0.482 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 15' ' ' SER . 91.7 m-70 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.848 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.444 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 5.7 p90 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.571 0.224 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.451 ' HA ' ' CE1' ' A' ' 29' ' ' HIS . 25.9 m95 -120.52 136.18 54.86 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.776 ' H ' ' HE2' ' A' ' 29' ' ' HIS . 13.6 p -109.88 106.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.71 ' H ' HH12 ' A' ' 4' ' ' ARG . 86.7 mt-30 -123.37 89.21 3.06 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.957 0.408 . . . . 0.0 110.352 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.652 ' N ' HH22 ' A' ' 4' ' ' ARG . 35.2 m . . . . . 0 CA--C 1.53 0.182 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.587 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' OE1' ' O ' ' A' ' 27' ' ' PHE . 5.1 mm-40 . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.942 0.401 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.465 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 7.2 m-30 . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.658 0.266 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.664 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.849 0 CA-C-O 120.849 0.357 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.776 ' HE2' ' H ' ' A' ' 20' ' ' VAL . 69.1 t60 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.203 0.525 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.402 ' CD ' ' C ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.724 0.297 . . . . 0.0 111.24 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.57 ' CD1' ' CG ' ' A' ' 18' ' ' PHE . 12.3 tt . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.157 0.503 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.466 ' O ' ' O ' ' A' ' 9' ' ' THR . 47.9 mmm-85 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.932 0 N-CA-C 112.699 -0.16 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -127.71 130.93 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.002 0.43 . . . . 0.0 111.195 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.466 ' O ' ' O ' ' A' ' 4' ' ' ARG . 9.6 t -86.7 -164.3 1.04 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.213 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.454 ' N ' ' OG1' ' A' ' 9' ' ' THR . 82.1 mt -59.94 -49.52 83.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.833 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.447 ' HG2' ' NH2' ' A' ' 11' ' ' ARG . 11.7 tpt180 -160.3 128.26 4.63 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -171.32 163.41 7.0 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.77 0.319 . . . . 0.0 110.693 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.502 ' NE ' ' HA ' ' A' ' 13' ' ' ARG . 11.1 mmp_? . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.456 0.646 . . . . 0.0 110.928 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.998 0.428 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.464 0.27 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.705 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.57 ' CG ' ' CD1' ' A' ' 3' ' ' ILE . 5.3 m-85 . . . . . 0 CA--C 1.517 -0.307 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -97.43 144.97 26.63 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.289 0.566 . . . . 0.0 111.119 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.506 ' CG2' ' H ' ' A' ' 21' ' ' GLN . 12.0 p -151.64 171.67 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.817 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.564 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 88.4 mt-30 118.85 -52.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 O-C-N 125.213 1.571 . . . . 0.0 112.143 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.404 HG22 ' NZ ' ' A' ' 25' ' ' LYS . 27.3 m . . . . . 0 CA--C 1.541 0.6 0 O-C-N 122.139 -0.35 . . . . 0.0 110.82 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.228 -0.068 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.564 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 4.5 mm-40 . . . . . 0 N--CA 1.485 1.314 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 6.5 m-30 . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 118.69 -0.672 . . . . 0.0 112.794 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.6 mttm . . . . . 0 C--O 1.234 0.24 0 CA-C-O 121.689 0.757 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 121.182 0.515 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 3' ' ' ILE . 1.7 pp . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 3' ' ' ILE . 46.4 ttt85 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.798 0.332 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.533 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.19 135.18 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 p -67.6 158.92 30.97 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.309 0.576 . . . . 0.0 111.718 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.421 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 15.8 tt -175.16 62.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 114.61 -1.177 . . . . 0.0 108.988 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -63.96 -136.45 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.046 -1.434 . . . . 0.0 112.353 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 ptm 41.77 -168.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.302 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 N--CA 1.47 0.568 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.819 -178.132 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.515 179.851 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.673 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 6.6 p90 . . . . . 0 C--O 1.217 -0.617 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.475 ' CD1' ' N ' ' A' ' 19' ' ' TRP . 6.4 p-90 -124.49 139.74 53.6 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.1 149.92 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 119.976 -0.689 . . . . 0.0 111.482 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.72 HE21 ' HZ1' ' A' ' 25' ' ' LYS . 84.8 mt-30 -137.59 126.34 23.9 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 26' ' ' GLU . 27.8 m . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.72 ' HZ1' HE21 ' A' ' 21' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 120.897 0.379 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 22' ' ' VAL . 4.9 mm-40 . . . . . 0 C--O 1.23 0.04 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.432 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.966 0.412 . . . . 0.0 111.485 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 28' ' ' LYS . 10.9 mptt . . . . . 0 C--O 1.243 0.722 0 CA-C-O 121.385 0.612 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.673 ' ND1' ' O ' ' A' ' 18' ' ' PHE . 45.6 t60 . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 121.553 0.692 . . . . 0.0 112.544 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.459 ' CG2' HH22 ' A' ' 13' ' ' ARG . 72.7 p . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.495 0.188 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 111.159 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.0 tp . . . . . 0 N--CA 1.467 0.391 0 CA-C-O 120.931 0.396 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.491 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.462 0.135 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 5' ' ' VAL . 32.3 m . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.965 0.412 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' 4FU . . . . . 0.658 ' C15' ' H ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.658 ' H ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 N--CA 1.469 0.845 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.657 ' CG1' ' H ' ' A' ' 9' ' ' THR . 39.4 t 88.66 179.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.924 0.89 . . . . 0.0 110.262 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.657 ' H ' ' CG1' ' A' ' 8' ' ' VAL . 75.9 p 66.94 161.35 0.16 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.577 0.751 . . . . 0.0 112.367 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.6 tt -163.92 -45.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.552 -1.203 . . . . 0.0 110.821 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 12' ' ' MET . 16.7 ptm180 -84.15 -173.88 4.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.438 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.439 ' O ' ' O ' ' A' ' 11' ' ' ARG . 16.6 tpt 59.15 142.11 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.558 ' HD3' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -165.65 167.78 16.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.073 0.464 . . . . 0.0 111.164 179.475 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.7 m -61.15 -40.72 94.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.459 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -149.24 10.77 0.78 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.35 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.486 ' CE1' ' CD2' ' A' ' 29' ' ' HIS . 8.6 p90 -158.69 160.45 36.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.437 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -110.16 141.06 43.59 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 p -152.39 132.43 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.936 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 2.9 pm0 -149.95 153.03 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.438 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.43 ' CG2' ' NZ ' ' A' ' 25' ' ' LYS . 34.9 m -86.2 149.27 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' DPR . . . . . 0.447 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' 4G6 . . . . . 0.447 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.91 0.386 . . . . 0.0 110.414 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.53 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.3 mp0 . . . . . 0 C--O 1.234 0.28 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 111.884 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.3 mttt . . . . . 0 C--O 1.238 0.483 0 CA-C-O 121.324 0.583 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.506 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 8.9 p80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.975 0.417 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.549 ' N ' ' O ' ' A' ' 3' ' ' ILE . 9.7 t . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.46 0.171 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.589 0.233 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.657 ' CG2' ' HE2' ' A' ' 29' ' ' HIS . 11.8 tt . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 9' ' ' THR . 41.0 ttm180 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.657 0.265 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 57.7 t . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.735 0.303 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' 4FU . . . . . 0.537 ' C7 ' ' OAB' ' A' ' 6' ' ' 4FU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.467 0.746 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 7' ' ' GLY . 30.1 m 47.73 159.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.596 0.712 . . . . 0.0 112.398 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 10' ' ' ILE . 96.9 m -151.46 169.62 21.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.502 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.482 ' N ' ' CG2' ' A' ' 9' ' ' THR . 31.4 pt -69.4 -161.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 0.0 111.329 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -73.15 156.92 38.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 13' ' ' ARG . 65.8 mtt -151.61 123.2 7.91 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.732 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HB3' ' H ' ' A' ' 14' ' ' DAL . 54.4 mtp85 34.7 -155.13 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.327 0.584 . . . . 0.0 112.055 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' DAL . . . . . 0.402 ' H ' ' HB3' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -61.22 -44.19 97.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.79 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -92.44 14.03 17.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.415 ' CZ ' ' CD1' ' A' ' 3' ' ' ILE . 5.2 p90 -149.2 -179.03 6.73 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.459 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -95.19 140.59 29.89 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.152 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.504 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 12.8 p -130.22 93.06 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-O 121.149 0.5 . . . . 0.0 109.882 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.704 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 1.3 mp0 -100.45 147.53 25.76 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -143.53 152.12 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.706 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' DPR . . . . . 0.487 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' 4G6 . . . . . 0.487 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.083 0.468 . . . . 0.0 110.603 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' PHE . 4.6 mm-40 . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.535 0.365 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.237 0.433 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.657 ' HE2' ' CG2' ' A' ' 3' ' ' ILE . 20.3 p-80 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 94.1 m . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.529 0.204 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 121.053 0.454 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 75.6 mt . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 120.945 0.402 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.423 0.63 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' 4FU . . . . . 0.477 ' OAB' ' C7 ' ' A' ' 6' ' ' 4FU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.47 ' N ' ' OAB' ' A' ' 6' ' ' 4FU . 57.6 t -85.11 125.21 40.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.5 p -130.06 161.27 31.39 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.915 0.864 . . . . 0.0 112.629 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.3 tt -159.96 153.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.08 -1.418 . . . . 0.0 109.473 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -138.07 40.71 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 mmt -88.34 144.81 26.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.988 0.423 . . . . 0.0 110.751 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' DAL . 0.0 OUTLIER -86.13 123.13 31.08 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.744 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' DAL . . . . . 0.511 ' CB ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.483 ' OG ' ' ND1' ' A' ' 16' ' ' HIS . 82.2 p -62.95 -39.78 95.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.4 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.483 ' ND1' ' OG ' ' A' ' 15' ' ' SER . 22.1 p-80 -154.58 41.22 0.47 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.437 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.571 ' C ' ' CD1' ' A' ' 18' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' A' ' 17' ' ' DAL . 8.2 m-85 -142.59 -177.83 5.48 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.781 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -96.88 134.91 39.59 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.662 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 28' ' ' LYS . 9.8 p -137.7 128.96 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -134.88 138.15 43.88 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.79 118.12 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.404 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' DPR . . . . . 0.416 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' 4G6 . . . . . 0.416 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.512 ' NZ ' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.689 0.281 . . . . 0.0 110.274 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.52 ' CD ' ' N ' ' A' ' 26' ' ' GLU . 8.3 mp0 . . . . . 0 C--O 1.235 0.296 0 CA-C-O 121.05 0.452 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' H ' ' C ' ' A' ' 30' ' ' ACE . 75.6 mmtt . . . . . 0 C--O 1.237 0.423 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.683 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 36.6 t-80 . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 122.019 0.914 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ACE . . . . . 0.522 ' C ' ' H ' ' A' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' NH2 . . . . . 0.521 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 2' ' ' GLU . 7.3 t . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 0' ' ' NH2 . 0.3 OUTLIER . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.353 0.121 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 4' ' ' ARG . 23.5 pt . . . . . 0 CA--C 1.546 0.793 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.505 HH11 ' C ' ' A' ' 13' ' ' ARG . 79.4 mtp180 . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.837 ' H ' ' H9 ' ' A' ' 6' ' ' 4FU . 7.4 p . . . . . 0 C--O 1.23 0.076 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' 4FU . . . . . 0.837 ' H9 ' ' H ' ' A' ' 5' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.524 ' H ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 N--CA 1.467 0.729 0 CA-C-O 120.008 -0.329 . . . . 0.0 113.588 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.419 ' H ' ' HB ' ' A' ' 5' ' ' VAL . 58.3 t 56.02 68.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.66 0.743 . . . . 0.0 109.695 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.653 ' H ' ' CG2' ' A' ' 5' ' ' VAL . 71.6 p -144.12 -161.21 1.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.46 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.58 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.4 mp -102.22 -47.49 11.11 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.694 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -43.16 161.88 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.398 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.567 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -160.99 178.17 9.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.512 -178.312 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' C ' HH11 ' A' ' 4' ' ' ARG . 8.3 ptm180 -155.95 177.89 10.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.211 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.5 m -66.23 -41.0 90.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.682 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -164.8 59.32 0.13 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.568 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.413 ' C ' ' CD1' ' A' ' 18' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.456 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 5.7 m-85 -127.07 130.11 49.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -128.21 146.37 50.75 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.144 0.497 . . . . 0.0 111.844 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.469 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 11.1 p -163.08 93.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.447 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.685 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 1.0 OUTLIER -98.85 99.91 11.04 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.339 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' DPR . 34.3 m -150.36 154.49 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 120.593 -0.443 . . . . 0.0 112.135 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' DPR . . . . . 0.53 ' O ' ' HAG' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' 4G6 . . . . . 0.53 ' HAG' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.589 ' CB ' ' HZ3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.0 mp0 . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 120.511 0.196 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.066 0.46 . . . . 0.0 110.749 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 10.8 mptt . . . . . 0 N--CA 1.446 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.418 ' ND1' ' C ' ' A' ' 29' ' ' HIS . 23.3 t-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.014 0.435 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.503 0.192 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.588 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.059 0.457 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 CA--C 1.522 -0.135 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.418 0.628 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' 4FU . . . . . 0.653 ' C15' ' H ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.653 ' H ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 CA--C 1.527 0.804 0 CA-C-O 120.38 -0.122 . . . . 0.0 113.402 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 9' ' ' THR . 7.7 p -104.43 159.96 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 116.967 0.384 . . . . 0.0 111.336 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.41 ' N ' ' CG2' ' A' ' 8' ' ' VAL . 95.5 m -118.91 129.11 55.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.704 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.567 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.3 mp -104.26 124.58 58.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 121.483 0.659 . . . . 0.0 111.593 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -68.64 171.72 7.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.654 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.569 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.3 OUTLIER -72.66 100.27 2.77 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.823 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.531 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 30.1 tpt180 -172.84 122.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.382 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 17' ' ' DAL . 54.5 m -83.28 106.9 15.43 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' ND1' ' C ' ' A' ' 15' ' ' SER . 25.2 p-80 33.79 27.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.479 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.548 ' N ' ' O ' ' A' ' 15' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 13' ' ' ARG . 6.4 m-85 -125.7 146.08 49.9 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.05 0.452 . . . . 0.0 110.418 178.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -121.86 138.65 54.31 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.842 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.541 ' CG1' ' H ' ' A' ' 26' ' ' GLU . 10.1 p -115.84 169.17 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.516 ' C ' ' OE1' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -172.36 48.62 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.333 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.8 m -74.05 149.61 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.526 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' DPR . . . . . 0.437 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' 4G6 . . . . . 0.437 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.167 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.541 ' H ' ' CG1' ' A' ' 20' ' ' VAL . 9.2 mp0 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 121.195 0.521 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.431 ' CD2' ' O ' ' A' ' 29' ' ' HIS . 9.3 m-30 . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 120.852 0.358 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 30' ' ' ACE . 97.4 mttt . . . . . 0 C--O 1.236 0.378 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.431 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 25.9 t-80 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.832 0.349 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ACE . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.23 0.077 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 2' ' ' GLU . 10.2 t . . . . . 0 N--CA 1.47 0.555 0 CA-C-O 120.553 0.216 . . . . 0.0 111.464 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 8.6 mp0 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 120.579 0.228 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 pt . . . . . 0 N--CA 1.465 0.318 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.532 ' CB ' ' NH2' ' A' ' 4' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.772 0.32 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.48 ' CG2' ' N ' ' A' ' 4' ' ' ARG . 9.2 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.015 0.436 . . . . 0.0 111.769 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' 4FU . . . . . 0.531 ' C15' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.531 ' N ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 112.77 -0.132 . . . . 0.0 112.77 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.7 t -81.08 116.97 26.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -77.76 147.85 35.12 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.482 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.479 ' O ' ' OE2' ' A' ' 2' ' ' GLU . 49.3 mm -129.54 121.1 52.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.176 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.485 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -156.11 31.49 0.34 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.54 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.456 ' O ' ' O ' ' A' ' 13' ' ' ARG . 68.9 mtm -118.2 130.81 56.3 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 12' ' ' MET . 55.5 mtp85 38.64 -164.09 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.324 0.583 . . . . 0.0 111.877 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' DAL . . . . . 0.409 ' C ' ' N ' ' A' ' 16' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.0 t 53.66 23.9 3.93 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.603 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 36.3 t-80 67.53 54.13 0.69 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.32 -1.309 . . . . 0.0 109.225 -179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -127.22 138.67 53.16 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.835 0.35 . . . . 0.0 110.252 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -126.99 136.32 52.08 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.756 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.1 t -137.18 138.46 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.151 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.514 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -156.73 62.99 0.52 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.811 0.815 . . . . 0.0 111.488 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.422 ' O ' ' NAC' ' A' ' 24' ' ' 4G6 . 27.1 m -71.06 160.97 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.461 -179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' DPR . . . . . 0.488 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' 4G6 . . . . . 0.488 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.53 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.4 mp0 . . . . . 0 C--O 1.244 0.788 0 CA-C-O 121.78 0.8 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.426 0 CA-C-O 121.231 0.539 . . . . 0.0 112.239 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 29' ' ' HIS . 61.1 mttp . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.551 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 28.9 t-80 . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 121.174 0.511 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.628 0.252 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 120.629 0.252 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.554 ' CG1' ' HE2' ' A' ' 29' ' ' HIS . 1.8 pp . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 121.156 0.503 . . . . 0.0 111.654 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.418 ' N ' ' CG2' ' A' ' 5' ' ' VAL . 40.2 ptt85 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.418 ' CG2' ' N ' ' A' ' 4' ' ' ARG . 14.7 p . . . . . 0 C--O 1.232 0.173 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' 4FU . . . . . 0.59 ' C15' ' H ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.59 ' H ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 N--CA 1.463 0.466 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 7' ' ' GLY . 25.9 m -52.75 -168.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.191 -0.504 . . . . 0.0 110.457 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' VAL . 9.5 t -43.56 167.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.136 0.493 . . . . 0.0 110.673 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.452 HD13 HG21 ' A' ' 10' ' ' ILE . 80.7 mt -102.73 -42.77 8.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.117 -178.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -68.55 43.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.251 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.565 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.3 OUTLIER -103.24 119.47 38.93 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.058 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.515 ' O ' ' SD ' ' A' ' 12' ' ' MET . 41.2 ttm180 -109.3 -112.25 0.31 Allowed 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' DAL . . . . . 0.461 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -62.3 -45.07 94.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.309 0.576 . . . . 0.0 110.478 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -69.31 -38.85 78.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.596 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -102.06 116.81 33.47 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 122.0 0.905 . . . . 0.0 112.54 179.665 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.653 ' CE3' ' CE2' ' A' ' 27' ' ' PHE . 24.8 m95 -146.09 -178.66 6.25 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.888 -0.507 . . . . 0.0 111.549 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.25 113.5 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 2.8 pm0 -138.02 123.85 19.99 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.025 -177.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 23' ' ' DPR . 29.0 m -154.55 155.39 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -178.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' DPR . . . . . 0.53 ' O ' ' CAE' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' 4G6 . . . . . 0.53 ' CAE' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.516 ' CB ' ' HZ1' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.584 0.23 . . . . 0.0 110.461 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.6 mp0 . . . . . 0 C--O 1.234 0.252 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.653 ' CE2' ' CE3' ' A' ' 19' ' ' TRP . 11.8 m-30 . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 121.002 0.43 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' N ' ' CE3' ' A' ' 19' ' ' TRP . 75.5 mmtt . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.554 ' HE2' ' CG1' ' A' ' 3' ' ' ILE . 31.9 t-80 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 94.5 m . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.62 0.248 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.953 0.406 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.4 tp . . . . . 0 N--CA 1.463 0.194 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.734 ' N ' ' NE ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.115 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.556 ' C ' ' NE ' ' A' ' 4' ' ' ARG . 35.7 m . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 121.361 0.6 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' 4FU . . . . . 0.717 ' OAB' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.717 ' N ' ' OAB' ' A' ' 6' ' ' 4FU . . . . . . . . 0 CA--C 1.521 0.416 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.529 HG23 ' H ' ' A' ' 10' ' ' ILE . 13.1 p -113.17 144.2 21.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 t -113.02 10.63 18.83 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.552 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -153.56 -148.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.716 177.351 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.655 ' C ' ' NE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -82.58 -175.93 6.0 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -179.012 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 96.1 mmm -132.69 144.22 50.16 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.025 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -82.43 171.98 13.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.308 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 47.9 t -61.99 -48.77 78.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.113 0.482 . . . . 0.0 110.73 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 15' ' ' SER . 91.7 m-70 -159.18 20.25 0.19 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.848 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.401 ' CB ' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.444 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 5.7 p90 -147.11 157.8 43.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.699 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.451 ' HA ' ' CE1' ' A' ' 29' ' ' HIS . 25.9 m95 -120.52 136.18 54.86 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.776 ' H ' ' HE2' ' A' ' 29' ' ' HIS . 13.6 p -109.88 106.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.71 ' H ' HH12 ' A' ' 4' ' ' ARG . 86.7 mt-30 -123.37 89.21 3.06 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.957 0.408 . . . . 0.0 110.352 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.652 ' N ' HH22 ' A' ' 4' ' ' ARG . 35.2 m -68.29 132.42 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.587 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' DPR . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' OE1' ' O ' ' A' ' 27' ' ' PHE . 5.1 mm-40 . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.942 0.401 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.465 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 7.2 m-30 . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.658 0.266 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.664 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.849 0 CA-C-O 120.849 0.357 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.776 ' HE2' ' H ' ' A' ' 20' ' ' VAL . 69.1 t60 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.203 0.525 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 120.53 0.205 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.402 ' CD ' ' C ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.724 0.297 . . . . 0.0 111.24 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.57 ' CD1' ' CG ' ' A' ' 18' ' ' PHE . 12.3 tt . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.157 0.503 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.466 ' O ' ' O ' ' A' ' 9' ' ' THR . 47.9 mmm-85 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' 4FU . . . . . 0.592 ' C15' ' H ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.592 ' H ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 N--CA 1.47 0.932 0 N-CA-C 112.699 -0.16 . . . . 0.0 112.699 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -127.71 130.93 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.002 0.43 . . . . 0.0 111.195 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.466 ' O ' ' O ' ' A' ' 4' ' ' ARG . 9.6 t -86.7 -164.3 1.04 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.213 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.454 ' N ' ' OG1' ' A' ' 9' ' ' THR . 82.1 mt -59.94 -49.52 83.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.833 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' HG2' ' NH2' ' A' ' 11' ' ' ARG . 11.7 tpt180 -160.3 128.26 4.63 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -171.32 163.41 7.0 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.77 0.319 . . . . 0.0 110.693 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.502 ' NE ' ' HA ' ' A' ' 13' ' ' ARG . 11.1 mmp_? 51.11 -120.77 1.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.456 0.646 . . . . 0.0 110.928 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' DAL . . . . . 0.538 ' O ' ' CZ ' ' A' ' 18' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 t -118.47 -6.92 10.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.976 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -139.13 18.35 2.61 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.705 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . 0.522 ' C ' ' CD1' ' A' ' 18' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.57 ' CG ' ' CD1' ' A' ' 3' ' ' ILE . 5.3 m-85 -139.58 125.66 19.9 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -97.43 144.97 26.63 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.289 0.566 . . . . 0.0 111.119 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.506 ' CG2' ' H ' ' A' ' 21' ' ' GLN . 12.0 p -151.64 171.67 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.817 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.564 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 88.4 mt-30 118.85 -52.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 O-C-N 125.213 1.571 . . . . 0.0 112.143 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.404 HG22 ' NZ ' ' A' ' 25' ' ' LYS . 27.3 m -147.42 85.47 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 122.139 -0.35 . . . . 0.0 110.82 178.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' DPR . . . . . 0.423 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' 4G6 . . . . . 0.423 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.228 -0.068 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.564 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 4.5 mm-40 . . . . . 0 N--CA 1.485 1.314 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 6.5 m-30 . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 118.69 -0.672 . . . . 0.0 112.794 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.6 mttm . . . . . 0 C--O 1.234 0.24 0 CA-C-O 121.689 0.757 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 121.182 0.515 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' NH2 . . . . . 0.523 ' HN1' ' C ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 11' ' ' ARG . 93.7 m . . . . . 0 CA--C 1.52 -0.178 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 3' ' ' ILE . 1.7 pp . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 3' ' ' ILE . 46.4 ttt85 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.798 0.332 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' 4FU . . . . . 0.573 ' C15' ' H ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.573 ' H ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 N--CA 1.464 0.533 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.19 135.18 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 p -67.6 158.92 30.97 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.309 0.576 . . . . 0.0 111.718 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.421 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 15.8 tt -175.16 62.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 114.61 -1.177 . . . . 0.0 108.988 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.455 ' O ' ' OG1' ' A' ' 1' ' ' THR . 16.1 ptp180 -63.96 -136.45 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.046 -1.434 . . . . 0.0 112.353 -179.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 ptm 41.77 -168.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.302 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.523 ' C ' ' HN1' ' A' ' 0' ' ' NH2 . 8.2 ptm180 -129.08 -176.57 3.91 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.819 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' DAL . . . . . 0.512 ' N ' ' N ' ' A' ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t -59.63 -45.45 91.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.86 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -168.72 16.52 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.515 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.673 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 6.6 p90 -152.34 -178.14 6.63 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.475 ' N ' ' CD1' ' A' ' 19' ' ' TRP . 6.4 p-90 -124.49 139.74 53.6 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.1 149.92 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 119.976 -0.689 . . . . 0.0 111.482 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.72 HE21 ' HZ1' ' A' ' 25' ' ' LYS . 84.8 mt-30 -137.59 126.34 23.9 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 26' ' ' GLU . 27.8 m -152.25 156.19 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' DPR . . . . . 0.468 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' 4G6 . . . . . 0.468 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.72 ' HZ1' HE21 ' A' ' 21' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 120.897 0.379 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 22' ' ' VAL . 4.9 mm-40 . . . . . 0 C--O 1.23 0.04 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.432 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.966 0.412 . . . . 0.0 111.485 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 10.9 mptt . . . . . 0 C--O 1.243 0.722 0 CA-C-O 121.385 0.612 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.673 ' ND1' ' O ' ' A' ' 18' ' ' PHE . 45.6 t60 . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 121.553 0.692 . . . . 0.0 112.544 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 111.159 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 3' ' ' ILE . 7.0 tp . . . . . 0 N--CA 1.467 0.391 0 CA-C-O 120.931 0.396 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.519 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.462 0.135 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 5' ' ' VAL . 32.3 m . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.965 0.412 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.469 0.845 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.85 HG12 ' H ' ' A' ' 9' ' ' THR . 39.4 t 88.66 179.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.924 0.89 . . . . 0.0 110.262 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.85 ' H ' HG12 ' A' ' 8' ' ' VAL . 75.9 p 66.94 161.35 0.16 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.577 0.751 . . . . 0.0 112.367 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.552 HG23 ' N ' ' A' ' 11' ' ' ARG . 11.6 tt -163.92 -45.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.552 -1.203 . . . . 0.0 110.821 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.552 ' N ' HG23 ' A' ' 10' ' ' ILE . 16.7 ptm180 -84.15 -173.88 4.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.438 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.439 ' O ' ' O ' ' A' ' 11' ' ' ARG . 16.6 tpt 59.15 142.11 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.602 ' HD3' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.184 0 CA-C-O 121.073 0.464 . . . . 0.0 111.164 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.765 0.317 . . . . 0.0 111.459 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 . . . . . 0 N--CA 1.467 0.406 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.35 -179.752 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.486 ' CE1' ' CD2' ' A' ' 29' ' ' HIS . 8.6 p90 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.736 0.303 . . . . 0.0 111.437 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -110.16 141.06 43.59 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 20' ' ' VAL . 9.7 p -152.39 132.43 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.936 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -149.95 153.03 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.438 -179.77 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.43 ' CG2' ' NZ ' ' A' ' 25' ' ' LYS . 34.9 m . . . . . 0 N--CA 1.463 0.194 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.91 0.386 . . . . 0.0 110.414 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.53 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.3 mp0 . . . . . 0 C--O 1.234 0.28 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 111.884 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.3 mttt . . . . . 0 C--O 1.238 0.483 0 CA-C-O 121.324 0.583 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.506 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 8.9 p80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.975 0.417 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.589 0.233 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.946 HD12 ' CZ ' ' A' ' 18' ' ' PHE . 11.8 tt . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 9' ' ' THR . 41.0 ttm180 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.657 0.265 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 57.7 t . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.735 0.303 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.467 0.746 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 7' ' ' GLY . 30.1 m 47.73 159.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.596 0.712 . . . . 0.0 112.398 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.642 HG22 ' N ' ' A' ' 10' ' ' ILE . 96.9 m -151.46 169.62 21.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.502 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.642 ' N ' HG22 ' A' ' 9' ' ' THR . 31.4 pt -69.4 -161.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 0.0 111.329 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.428 ' HD2' ' O ' ' A' ' 11' ' ' ARG . 4.9 ppt_? -73.15 156.92 38.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.479 ' CE ' HG21 ' A' ' 9' ' ' THR . 65.8 mtt -151.61 123.2 7.91 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.732 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' MET . 54.4 mtp85 . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 121.327 0.584 . . . . 0.0 112.055 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 121.222 0.534 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.946 ' CZ ' HD12 ' A' ' 3' ' ' ILE . 5.2 p90 . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.971 0.415 . . . . 0.0 111.459 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -95.19 140.59 29.89 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.152 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 20' ' ' VAL . 12.8 p -130.22 93.06 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-O 121.149 0.5 . . . . 0.0 109.882 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.704 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 1.3 mp0 -100.45 147.53 25.76 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.706 -179.484 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.083 0.468 . . . . 0.0 110.603 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' PHE . 4.6 mm-40 . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.474 ' HA ' HG13 ' A' ' 20' ' ' VAL . 0.9 OUTLIER . . . . . 0 CA--C 1.535 0.365 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.237 0.433 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 20.3 p-80 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 121.053 0.454 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 75.6 mt . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 120.945 0.402 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.513 ' HE ' HG22 ' A' ' 9' ' ' THR . 39.8 ptt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.423 0.63 . . . . 0.0 111.661 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -85.11 125.21 40.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.513 HG22 ' HE ' ' A' ' 4' ' ' ARG . 77.5 p -130.06 161.27 31.39 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.915 0.864 . . . . 0.0 112.629 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 10' ' ' ILE . 13.3 tt -159.96 153.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.08 -1.418 . . . . 0.0 109.473 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -138.07 40.71 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 mmt -88.34 144.81 26.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.988 0.423 . . . . 0.0 110.751 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.432 ' HD3' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.197 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.41 ' OG ' ' ND1' ' A' ' 16' ' ' HIS . 82.2 p . . . . . 0 C--O 1.231 0.131 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.41 ' ND1' ' OG ' ' A' ' 15' ' ' SER . 22.1 p-80 . . . . . 0 C--N 1.32 -0.689 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.437 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.526 ' O ' ' CE1' ' A' ' 29' ' ' HIS . 8.2 m-85 . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -96.88 134.91 39.59 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.662 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.553 HG12 ' HD1' ' A' ' 29' ' ' HIS . 9.8 p -137.7 128.96 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -134.88 138.15 43.88 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 22' ' ' VAL . 34.5 m . . . . . 0 CA--C 1.536 0.421 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.404 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' NZ ' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.689 0.281 . . . . 0.0 110.274 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.52 ' CD ' ' N ' ' A' ' 26' ' ' GLU . 8.3 mp0 . . . . . 0 C--O 1.235 0.296 0 CA-C-O 121.05 0.452 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 20' ' ' VAL . 75.6 mmtt . . . . . 0 C--O 1.237 0.423 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.683 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 36.6 t-80 . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 122.019 0.914 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.504 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.353 0.121 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 4' ' ' ARG . 23.5 pt . . . . . 0 CA--C 1.546 0.793 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.6 ' O ' HG23 ' A' ' 3' ' ' ILE . 79.4 mtp180 . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.978 HG21 ' H ' ' A' ' 9' ' ' THR . 7.4 p . . . . . 0 C--O 1.23 0.076 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.729 0 CA-C-O 120.008 -0.329 . . . . 0.0 113.588 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.5 ' H ' ' HB ' ' A' ' 5' ' ' VAL . 58.3 t 56.02 68.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.66 0.743 . . . . 0.0 109.695 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.978 ' H ' HG21 ' A' ' 5' ' ' VAL . 71.6 p -144.12 -161.21 1.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.46 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.804 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.4 mp -102.22 -47.49 11.11 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.694 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -43.16 161.88 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.398 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.567 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -160.99 178.17 9.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.512 -178.312 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.526 ' C ' HH11 ' A' ' 4' ' ' ARG . 8.3 ptm180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.211 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.5 m . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 121.202 0.525 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.568 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.456 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 5.7 m-85 . . . . . 0 N--CA 1.462 0.156 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.418 ' H ' ' HD3' ' A' ' 4' ' ' ARG . 27.4 m95 -128.21 146.37 50.75 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.144 0.497 . . . . 0.0 111.844 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 20' ' ' VAL . 11.1 p -163.08 93.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.447 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.685 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 1.0 OUTLIER -98.85 99.91 11.04 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.339 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 120.593 -0.443 . . . . 0.0 112.135 -177.705 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.728 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.0 mp0 . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 120.511 0.196 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.066 0.46 . . . . 0.0 110.749 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.552 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 10.8 mptt . . . . . 0 N--CA 1.446 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.421 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 23.3 t-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.014 0.435 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.588 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.733 ' O ' HD12 ' A' ' 3' ' ' ILE . 1.9 pp . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.059 0.457 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 CA--C 1.522 -0.135 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.503 HG11 HG23 ' A' ' 20' ' ' VAL . 35.0 m . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.418 0.628 . . . . 0.0 111.851 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.804 0 CA-C-O 120.38 -0.122 . . . . 0.0 113.402 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.528 HG22 ' N ' ' A' ' 9' ' ' THR . 7.7 p -104.43 159.96 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 116.967 0.384 . . . . 0.0 111.336 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.557 ' C ' HD12 ' A' ' 10' ' ' ILE . 95.5 m -118.91 129.11 55.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.704 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.776 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.3 mp -104.26 124.58 58.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 121.483 0.659 . . . . 0.0 111.593 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -68.64 171.72 7.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.654 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.569 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.3 OUTLIER -72.66 100.27 2.77 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.823 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.531 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 30.1 tpt180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.382 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.527 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 54.5 m . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' ND1' ' C ' ' A' ' 15' ' ' SER . 25.2 p-80 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.479 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 13' ' ' ARG . 6.4 m-85 . . . . . 0 N--CA 1.47 0.543 0 CA-C-O 121.05 0.452 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -121.86 138.65 54.31 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.842 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.671 HG22 ' N ' ' A' ' 21' ' ' GLN . 10.1 p -115.84 169.17 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.671 ' N ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -172.36 48.62 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.333 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.526 -179.072 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.167 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' A' ' 28' ' ' LYS . 9.2 mp0 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 121.195 0.521 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' HD2' ' HD1' ' A' ' 29' ' ' HIS . 9.3 m-30 . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 120.852 0.358 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 97.4 mttt . . . . . 0 C--O 1.236 0.378 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.454 ' HD1' ' HD2' ' A' ' 27' ' ' PHE . 25.9 t-80 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.832 0.349 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.479 ' OE2' ' O ' ' A' ' 10' ' ' ILE . 8.6 mp0 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 120.579 0.228 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 pt . . . . . 0 N--CA 1.465 0.318 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.632 ' N ' HG22 ' A' ' 5' ' ' VAL . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.772 0.32 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.632 HG22 ' N ' ' A' ' 4' ' ' ARG . 9.2 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.015 0.436 . . . . 0.0 111.769 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 112.77 -0.132 . . . . 0.0 112.77 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.7 t -81.08 116.97 26.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -77.76 147.85 35.12 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.482 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.479 ' O ' ' OE2' ' A' ' 2' ' ' GLU . 49.3 mm -129.54 121.1 52.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.176 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.519 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -156.11 31.49 0.34 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.54 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.456 ' O ' ' O ' ' A' ' 13' ' ' ARG . 68.9 mtm -118.2 130.81 56.3 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 12' ' ' MET . 55.5 mtp85 . . . . . 0 CA--C 1.516 -0.33 0 CA-C-O 121.324 0.583 . . . . 0.0 111.877 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.582 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 36.3 t-80 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 114.32 -1.309 . . . . 0.0 109.225 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 N--CA 1.47 0.562 0 CA-C-O 120.835 0.35 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -126.99 136.32 52.08 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.756 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.1 t -137.18 138.46 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.151 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.514 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -156.73 62.99 0.52 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.811 0.815 . . . . 0.0 111.488 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.469 HG23 ' NZ ' ' A' ' 25' ' ' LYS . 27.1 m . . . . . 0 CA--C 1.534 0.346 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.461 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.53 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.4 mp0 . . . . . 0 C--O 1.244 0.788 0 CA-C-O 121.78 0.8 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.426 0 CA-C-O 121.231 0.539 . . . . 0.0 112.239 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 29' ' ' HIS . 61.1 mttp . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.551 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 28.9 t-80 . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 121.174 0.511 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 120.629 0.252 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.926 ' O ' HD12 ' A' ' 3' ' ' ILE . 1.8 pp . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 121.156 0.503 . . . . 0.0 111.654 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.601 ' N ' HG22 ' A' ' 5' ' ' VAL . 40.2 ptt85 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.601 HG22 ' N ' ' A' ' 4' ' ' ARG . 14.7 p . . . . . 0 C--O 1.232 0.173 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.463 0.466 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 7' ' ' GLY . 25.9 m -52.75 -168.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.191 -0.504 . . . . 0.0 110.457 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' VAL . 9.5 t -43.56 167.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.136 0.493 . . . . 0.0 110.673 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.425 HG23 ' NH2' ' A' ' 4' ' ' ARG . 80.7 mt -102.73 -42.77 8.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.117 -178.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -68.55 43.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.251 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.565 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.3 OUTLIER -103.24 119.47 38.93 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.058 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.515 ' O ' ' SD ' ' A' ' 12' ' ' MET . 41.2 ttm180 . . . . . 0 N--CA 1.462 0.17 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 121.309 0.576 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.5 m80 . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.596 179.882 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 19' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 122.0 0.905 . . . . 0.0 112.54 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.653 ' CE3' ' CE2' ' A' ' 27' ' ' PHE . 24.8 m95 -146.09 -178.66 6.25 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.888 -0.507 . . . . 0.0 111.549 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.2 p -131.25 113.5 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -138.02 123.85 19.99 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.025 -177.864 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.468 HG11 HG12 ' A' ' 5' ' ' VAL . 29.0 m . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.792 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.584 0.23 . . . . 0.0 110.461 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.6 mp0 . . . . . 0 C--O 1.234 0.252 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.653 ' CE2' ' CE3' ' A' ' 19' ' ' TRP . 11.8 m-30 . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 121.002 0.43 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' N ' ' CE3' ' A' ' 19' ' ' TRP . 75.5 mmtt . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.531 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 31.9 t-80 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.953 0.406 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.612 HG21 ' CE1' ' A' ' 18' ' ' PHE . 6.4 tp . . . . . 0 N--CA 1.463 0.194 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.794 HH12 ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.115 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 5' ' ' VAL . 35.7 m . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 121.361 0.6 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.416 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.617 HG22 ' H ' ' A' ' 10' ' ' ILE . 13.1 p -113.17 144.2 21.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 t -113.02 10.63 18.83 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.745 HD13 ' N ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -153.56 -148.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.716 177.351 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.655 ' C ' ' NE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -82.58 -175.93 6.0 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -179.012 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 96.1 mmm -132.69 144.22 50.16 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.025 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.308 179.675 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 47.9 t . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 121.113 0.482 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 15' ' ' SER . 91.7 m-70 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.848 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.612 ' CE1' HG21 ' A' ' 3' ' ' ILE . 5.7 p90 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.571 0.224 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.455 ' HA ' ' CE1' ' A' ' 29' ' ' HIS . 25.9 m95 -120.52 136.18 54.86 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.726 HG13 ' O ' ' A' ' 20' ' ' VAL . 13.6 p -109.88 106.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.794 ' H ' HH12 ' A' ' 4' ' ' ARG . 86.7 mt-30 -123.37 89.21 3.06 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.957 0.408 . . . . 0.0 110.352 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.679 ' N ' HH22 ' A' ' 4' ' ' ARG . 35.2 m . . . . . 0 CA--C 1.53 0.182 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.587 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' OE1' ' O ' ' A' ' 27' ' ' PHE . 5.1 mm-40 . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.942 0.401 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.465 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 7.2 m-30 . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.658 0.266 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.672 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.849 0 CA-C-O 120.849 0.357 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.664 ' CG ' ' N ' ' A' ' 28' ' ' LYS . 69.1 t60 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.203 0.525 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.402 ' CD ' ' C ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.724 0.297 . . . . 0.0 111.24 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.57 ' CD1' ' CG ' ' A' ' 18' ' ' PHE . 12.3 tt . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.157 0.503 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.466 ' O ' ' O ' ' A' ' 9' ' ' THR . 47.9 mmm-85 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 5' ' ' VAL . 9.3 p . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.932 0 N-CA-C 112.699 -0.16 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -127.71 130.93 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.002 0.43 . . . . 0.0 111.195 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.513 HG22 ' SD ' ' A' ' 12' ' ' MET . 9.6 t -86.7 -164.3 1.04 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.213 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.454 ' N ' ' OG1' ' A' ' 9' ' ' THR . 82.1 mt -59.94 -49.52 83.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.833 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HG2' ' NH2' ' A' ' 11' ' ' ARG . 11.7 tpt180 -160.3 128.26 4.63 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.513 ' SD ' HG22 ' A' ' 9' ' ' THR . 27.3 ptt? -171.32 163.41 7.0 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.77 0.319 . . . . 0.0 110.693 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' H ' ' CZ ' ' A' ' 13' ' ' ARG . 11.1 mmp_? . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.456 0.646 . . . . 0.0 110.928 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.998 0.428 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.27 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.705 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.57 ' CG ' ' CD1' ' A' ' 3' ' ' ILE . 5.3 m-85 . . . . . 0 CA--C 1.517 -0.307 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -97.43 144.97 26.63 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.289 0.566 . . . . 0.0 111.119 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.68 HG22 ' N ' ' A' ' 21' ' ' GLN . 12.0 p -151.64 171.67 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.817 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.68 ' N ' HG22 ' A' ' 20' ' ' VAL . 88.4 mt-30 118.85 -52.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 O-C-N 125.213 1.571 . . . . 0.0 112.143 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 22' ' ' VAL . 27.3 m . . . . . 0 CA--C 1.541 0.6 0 O-C-N 122.139 -0.35 . . . . 0.0 110.82 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.228 -0.068 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.564 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 4.5 mm-40 . . . . . 0 N--CA 1.485 1.314 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 6.5 m-30 . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 118.69 -0.672 . . . . 0.0 112.794 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.6 mttm . . . . . 0 C--O 1.234 0.24 0 CA-C-O 121.689 0.757 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.418 ' CE1' HG22 ' A' ' 3' ' ' ILE . 19.5 p-80 . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 121.182 0.515 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.615 HG22 ' CZ ' ' A' ' 18' ' ' PHE . 1.7 pp . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.551 ' O ' HG21 ' A' ' 10' ' ' ILE . 46.4 ttt85 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.798 0.332 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.533 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.19 135.18 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 p -67.6 158.92 30.97 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.309 0.576 . . . . 0.0 111.718 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.686 ' O ' HG23 ' A' ' 10' ' ' ILE . 15.8 tt -175.16 62.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 114.61 -1.177 . . . . 0.0 108.988 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -63.96 -136.45 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.046 -1.434 . . . . 0.0 112.353 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 ptm 41.77 -168.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.302 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 N--CA 1.47 0.568 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.819 -178.132 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.515 179.851 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.673 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 6.6 p90 . . . . . 0 C--O 1.217 -0.617 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.475 ' CD1' ' N ' ' A' ' 19' ' ' TRP . 6.4 p-90 -124.49 139.74 53.6 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.1 149.92 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 119.976 -0.689 . . . . 0.0 111.482 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -137.59 126.34 23.9 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 26' ' ' GLU . 27.8 m . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.751 ' HB2' ' HZ3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 120.897 0.379 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 22' ' ' VAL . 4.9 mm-40 . . . . . 0 C--O 1.23 0.04 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.432 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.966 0.412 . . . . 0.0 111.485 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.521 ' N ' ' HD2' ' A' ' 28' ' ' LYS . 10.9 mptt . . . . . 0 C--O 1.243 0.722 0 CA-C-O 121.385 0.612 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.673 ' ND1' ' O ' ' A' ' 18' ' ' PHE . 45.6 t60 . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 121.553 0.692 . . . . 0.0 112.544 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.474 ' CG2' HH22 ' A' ' 13' ' ' ARG . 72.7 p . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.495 0.188 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 111.159 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 3' ' ' ILE . 7.0 tp . . . . . 0 N--CA 1.467 0.391 0 CA-C-O 120.931 0.396 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.519 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.462 0.135 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 5' ' ' VAL . 32.3 m . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.965 0.412 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' 4FU . . . . . 0.555 ' C15' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.555 ' N ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 N--CA 1.469 0.845 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.85 HG12 ' H ' ' A' ' 9' ' ' THR . 39.4 t 88.66 179.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.924 0.89 . . . . 0.0 110.262 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.85 ' H ' HG12 ' A' ' 8' ' ' VAL . 75.9 p 66.94 161.35 0.16 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.577 0.751 . . . . 0.0 112.367 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.552 HG23 ' N ' ' A' ' 11' ' ' ARG . 11.6 tt -163.92 -45.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.552 -1.203 . . . . 0.0 110.821 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.552 ' N ' HG23 ' A' ' 10' ' ' ILE . 16.7 ptm180 -84.15 -173.88 4.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.438 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.439 ' O ' ' O ' ' A' ' 11' ' ' ARG . 16.6 tpt 59.15 142.11 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.602 ' HD3' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -165.65 167.78 16.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.073 0.464 . . . . 0.0 111.164 179.475 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' DAL . . . . . 0.472 ' HB3' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.7 m -61.15 -40.72 94.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.459 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -149.24 10.77 0.78 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.35 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.486 ' CE1' ' CD2' ' A' ' 29' ' ' HIS . 8.6 p90 -158.69 160.45 36.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.437 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -110.16 141.06 43.59 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 20' ' ' VAL . 9.7 p -152.39 132.43 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.936 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -149.95 153.03 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.438 -179.77 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.43 ' CG2' ' NZ ' ' A' ' 25' ' ' LYS . 34.9 m -86.2 149.27 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' DPR . . . . . 0.447 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' 4G6 . . . . . 0.447 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.91 0.386 . . . . 0.0 110.414 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.53 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.3 mp0 . . . . . 0 C--O 1.234 0.28 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 111.884 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.3 mttt . . . . . 0 C--O 1.238 0.483 0 CA-C-O 121.324 0.583 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.506 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 8.9 p80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.975 0.417 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.549 ' N ' ' O ' ' A' ' 3' ' ' ILE . 9.7 t . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.46 0.171 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.589 0.233 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.946 HD12 ' CZ ' ' A' ' 18' ' ' PHE . 11.8 tt . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 9' ' ' THR . 41.0 ttm180 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.657 0.265 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 57.7 t . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.735 0.303 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' 4FU . . . . . 0.537 ' C7 ' ' OAB' ' A' ' 6' ' ' 4FU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.467 0.746 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 7' ' ' GLY . 30.1 m 47.73 159.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.596 0.712 . . . . 0.0 112.398 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.642 HG22 ' N ' ' A' ' 10' ' ' ILE . 96.9 m -151.46 169.62 21.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.502 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.642 ' N ' HG22 ' A' ' 9' ' ' THR . 31.4 pt -69.4 -161.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 0.0 111.329 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' HD2' ' O ' ' A' ' 11' ' ' ARG . 4.9 ppt_? -73.15 156.92 38.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.479 ' CE ' HG21 ' A' ' 9' ' ' THR . 65.8 mtt -151.61 123.2 7.91 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.732 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' MET . 54.4 mtp85 34.7 -155.13 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.327 0.584 . . . . 0.0 112.055 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -61.22 -44.19 97.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.79 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.44 14.03 17.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.946 ' CZ ' HD12 ' A' ' 3' ' ' ILE . 5.2 p90 -149.2 -179.03 6.73 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.459 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -95.19 140.59 29.89 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.152 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 20' ' ' VAL . 12.8 p -130.22 93.06 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-O 121.149 0.5 . . . . 0.0 109.882 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.704 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 1.3 mp0 -100.45 147.53 25.76 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -143.53 152.12 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.706 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' DPR . . . . . 0.487 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' 4G6 . . . . . 0.487 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.083 0.468 . . . . 0.0 110.603 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' PHE . 4.6 mm-40 . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.474 ' HA ' HG13 ' A' ' 20' ' ' VAL . 0.9 OUTLIER . . . . . 0 CA--C 1.535 0.365 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.237 0.433 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 20.3 p-80 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 94.1 m . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.529 0.204 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 121.053 0.454 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 75.6 mt . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 120.945 0.402 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.513 ' HE ' HG22 ' A' ' 9' ' ' THR . 39.8 ptt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.423 0.63 . . . . 0.0 111.661 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' 4FU . . . . . 0.477 ' OAB' ' C7 ' ' A' ' 6' ' ' 4FU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.47 ' N ' ' OAB' ' A' ' 6' ' ' 4FU . 57.6 t -85.11 125.21 40.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.513 HG22 ' HE ' ' A' ' 4' ' ' ARG . 77.5 p -130.06 161.27 31.39 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.915 0.864 . . . . 0.0 112.629 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 10' ' ' ILE . 13.3 tt -159.96 153.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.08 -1.418 . . . . 0.0 109.473 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -138.07 40.71 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 mmt -88.34 144.81 26.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.988 0.423 . . . . 0.0 110.751 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.574 ' O ' ' HB3' ' A' ' 14' ' ' DAL . 0.0 OUTLIER -86.13 123.13 31.08 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.744 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' DAL . . . . . 0.574 ' HB3' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.41 ' OG ' ' ND1' ' A' ' 16' ' ' HIS . 82.2 p -62.95 -39.78 95.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.4 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' A' ' 17' ' ' DAL . 22.1 p-80 -154.58 41.22 0.47 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.437 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.571 ' C ' ' CD1' ' A' ' 18' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' A' ' 17' ' ' DAL . 8.2 m-85 -142.59 -177.83 5.48 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.781 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -96.88 134.91 39.59 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.662 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.553 HG12 ' HD1' ' A' ' 29' ' ' HIS . 9.8 p -137.7 128.96 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -134.88 138.15 43.88 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 22' ' ' VAL . 34.5 m -91.79 118.12 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.404 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' DPR . . . . . 0.416 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' 4G6 . . . . . 0.416 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.689 0.281 . . . . 0.0 110.274 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.3 mp0 . . . . . 0 C--O 1.235 0.296 0 CA-C-O 121.05 0.452 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 30' ' ' ACE . 75.6 mmtt . . . . . 0 C--O 1.237 0.423 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.683 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 36.6 t-80 . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 122.019 0.914 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ACE . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' NH2 . . . . . 0.521 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 2' ' ' GLU . 7.3 t . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 0' ' ' NH2 . 0.3 OUTLIER . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.353 0.121 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 4' ' ' ARG . 23.5 pt . . . . . 0 CA--C 1.546 0.793 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.6 ' O ' HG23 ' A' ' 3' ' ' ILE . 79.4 mtp180 . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.978 HG21 ' H ' ' A' ' 9' ' ' THR . 7.4 p . . . . . 0 C--O 1.23 0.076 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' 4FU . . . . . 0.445 ' C15' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' N ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 N--CA 1.467 0.729 0 CA-C-O 120.008 -0.329 . . . . 0.0 113.588 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.5 ' H ' ' HB ' ' A' ' 5' ' ' VAL . 58.3 t 56.02 68.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.66 0.743 . . . . 0.0 109.695 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.978 ' H ' HG21 ' A' ' 5' ' ' VAL . 71.6 p -144.12 -161.21 1.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.46 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.804 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.4 mp -102.22 -47.49 11.11 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.694 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -43.16 161.88 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.398 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.567 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -160.99 178.17 9.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.512 -178.312 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.526 ' C ' HH11 ' A' ' 4' ' ' ARG . 8.3 ptm180 -155.95 177.89 10.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.211 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.5 m -66.23 -41.0 90.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.682 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -164.8 59.32 0.13 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.568 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.413 ' C ' ' CD1' ' A' ' 18' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.456 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 5.7 m-85 -127.07 130.11 49.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.418 ' H ' ' HD3' ' A' ' 4' ' ' ARG . 27.4 m95 -128.21 146.37 50.75 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.144 0.497 . . . . 0.0 111.844 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 20' ' ' VAL . 11.1 p -163.08 93.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.447 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.685 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 1.0 OUTLIER -98.85 99.91 11.04 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.339 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' DPR . 34.3 m -150.36 154.49 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 120.593 -0.443 . . . . 0.0 112.135 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' DPR . . . . . 0.529 ' O ' ' CAE' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' 4G6 . . . . . 0.529 ' CAE' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.728 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.0 mp0 . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 120.511 0.196 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.066 0.46 . . . . 0.0 110.749 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.552 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 10.8 mptt . . . . . 0 N--CA 1.446 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.421 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 23.3 t-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.014 0.435 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' NH2 . . . . . 0.714 ' N ' ' HG1' ' A' ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.714 ' HG1' ' N ' ' A' ' 0' ' ' NH2 . 10.0 t . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.503 0.192 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.588 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.733 ' O ' HD12 ' A' ' 3' ' ' ILE . 1.9 pp . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.059 0.457 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 CA--C 1.522 -0.135 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.503 HG11 HG23 ' A' ' 20' ' ' VAL . 35.0 m . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.418 0.628 . . . . 0.0 111.851 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' 4FU . . . . . 0.435 ' C7 ' ' C12' ' A' ' 6' ' ' 4FU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' N ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 CA--C 1.527 0.804 0 CA-C-O 120.38 -0.122 . . . . 0.0 113.402 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.528 HG22 ' N ' ' A' ' 9' ' ' THR . 7.7 p -104.43 159.96 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 116.967 0.384 . . . . 0.0 111.336 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.557 ' C ' HD12 ' A' ' 10' ' ' ILE . 95.5 m -118.91 129.11 55.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.704 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.776 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.3 mp -104.26 124.58 58.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 121.483 0.659 . . . . 0.0 111.593 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -68.64 171.72 7.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.654 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.569 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.3 OUTLIER -72.66 100.27 2.77 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.823 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.531 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 30.1 tpt180 -172.84 122.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.382 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 17' ' ' DAL . 54.5 m -83.28 106.9 15.43 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' ND1' ' C ' ' A' ' 15' ' ' SER . 25.2 p-80 33.79 27.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.479 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.548 ' N ' ' O ' ' A' ' 15' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 13' ' ' ARG . 6.4 m-85 -125.7 146.08 49.9 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.05 0.452 . . . . 0.0 110.418 178.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -121.86 138.65 54.31 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.842 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.671 HG22 ' N ' ' A' ' 21' ' ' GLN . 10.1 p -115.84 169.17 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.671 ' N ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -172.36 48.62 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.333 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.8 m -74.05 149.61 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.526 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' DPR . . . . . 0.437 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' 4G6 . . . . . 0.437 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.167 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' A' ' 28' ' ' LYS . 9.2 mp0 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 121.195 0.521 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' HD2' ' HD1' ' A' ' 29' ' ' HIS . 9.3 m-30 . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 120.852 0.358 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 30' ' ' ACE . 97.4 mttt . . . . . 0 C--O 1.236 0.378 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.454 ' HD1' ' HD2' ' A' ' 27' ' ' PHE . 25.9 t-80 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.832 0.349 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ACE . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.23 0.077 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' NH2 . . . . . 0.435 ' N ' ' HG1' ' A' ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.435 ' HG1' ' N ' ' A' ' 0' ' ' NH2 . 10.2 t . . . . . 0 N--CA 1.47 0.555 0 CA-C-O 120.553 0.216 . . . . 0.0 111.464 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.479 ' OE2' ' O ' ' A' ' 10' ' ' ILE . 8.6 mp0 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 120.579 0.228 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 pt . . . . . 0 N--CA 1.465 0.318 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.632 ' N ' HG22 ' A' ' 5' ' ' VAL . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.772 0.32 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.632 HG22 ' N ' ' A' ' 4' ' ' ARG . 9.2 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.015 0.436 . . . . 0.0 111.769 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' 4FU . . . . . 0.531 ' C15' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.531 ' N ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 112.77 -0.132 . . . . 0.0 112.77 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.7 t -81.08 116.97 26.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -77.76 147.85 35.12 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.482 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.479 ' O ' ' OE2' ' A' ' 2' ' ' GLU . 49.3 mm -129.54 121.1 52.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.176 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.519 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -156.11 31.49 0.34 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.54 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.456 ' O ' ' O ' ' A' ' 13' ' ' ARG . 68.9 mtm -118.2 130.81 56.3 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 12' ' ' MET . 55.5 mtp85 38.64 -164.09 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.324 0.583 . . . . 0.0 111.877 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' DAL . . . . . 0.557 ' HB1' ' O ' ' A' ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.0 t 53.66 23.9 3.93 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.582 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 36.3 t-80 67.53 54.13 0.69 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.32 -1.309 . . . . 0.0 109.225 -179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.557 ' O ' ' HB1' ' A' ' 14' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 14' ' ' DAL . 6.7 m-85 -127.22 138.67 53.16 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.835 0.35 . . . . 0.0 110.252 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -126.99 136.32 52.08 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.756 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.1 t -137.18 138.46 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.151 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.514 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -156.73 62.99 0.52 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.811 0.815 . . . . 0.0 111.488 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.469 HG23 ' NZ ' ' A' ' 25' ' ' LYS . 27.1 m -71.06 160.97 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.461 -179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' DPR . . . . . 0.488 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' 4G6 . . . . . 0.488 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.53 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.4 mp0 . . . . . 0 C--O 1.244 0.788 0 CA-C-O 121.78 0.8 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.426 0 CA-C-O 121.231 0.539 . . . . 0.0 112.239 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 29' ' ' HIS . 61.1 mttp . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.551 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 28.9 t-80 . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 121.174 0.511 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.601 ' O ' HD13 ' A' ' 3' ' ' ILE . 70.6 p . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.628 0.252 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.577 ' HG3' HG23 ' A' ' 1' ' ' THR . 17.8 tp10 . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 120.629 0.252 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.926 ' O ' HD12 ' A' ' 3' ' ' ILE . 1.8 pp . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 121.156 0.503 . . . . 0.0 111.654 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.601 ' N ' HG22 ' A' ' 5' ' ' VAL . 40.2 ptt85 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.601 HG22 ' N ' ' A' ' 4' ' ' ARG . 14.7 p . . . . . 0 C--O 1.232 0.173 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' 4FU . . . . . 0.547 ' C15' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.547 ' N ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 N--CA 1.463 0.466 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 7' ' ' GLY . 25.9 m -52.75 -168.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.191 -0.504 . . . . 0.0 110.457 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' VAL . 9.5 t -43.56 167.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.136 0.493 . . . . 0.0 110.673 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.425 HG23 ' NH2' ' A' ' 4' ' ' ARG . 80.7 mt -102.73 -42.77 8.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.117 -178.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -68.55 43.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.251 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.565 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.3 OUTLIER -103.24 119.47 38.93 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.058 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.515 ' O ' ' SD ' ' A' ' 12' ' ' MET . 41.2 ttm180 -109.3 -112.25 0.31 Allowed 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' DAL . . . . . 0.476 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -62.3 -45.07 94.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.309 0.576 . . . . 0.0 110.478 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -69.31 -38.85 78.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.596 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -102.06 116.81 33.47 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 122.0 0.905 . . . . 0.0 112.54 179.665 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.653 ' CE3' ' CE2' ' A' ' 27' ' ' PHE . 24.8 m95 -146.09 -178.66 6.25 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.888 -0.507 . . . . 0.0 111.549 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.2 p -131.25 113.5 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -138.02 123.85 19.99 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.025 -177.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.468 HG11 HG12 ' A' ' 5' ' ' VAL . 29.0 m -154.55 155.39 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -178.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' DPR . . . . . 0.53 ' O ' ' CAE' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' 4G6 . . . . . 0.53 ' CAE' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.792 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.584 0.23 . . . . 0.0 110.461 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.6 mp0 . . . . . 0 C--O 1.234 0.252 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.653 ' CE2' ' CE3' ' A' ' 19' ' ' TRP . 11.8 m-30 . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 121.002 0.43 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' N ' ' CE3' ' A' ' 19' ' ' TRP . 75.5 mmtt . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.531 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 31.9 t-80 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 94.5 m . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.62 0.248 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.953 0.406 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.612 HG21 ' CE1' ' A' ' 18' ' ' PHE . 6.4 tp . . . . . 0 N--CA 1.463 0.194 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.794 HH12 ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.115 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 5' ' ' VAL . 35.7 m . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 121.361 0.6 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' 4FU . . . . . 0.717 ' OAB' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.717 ' N ' ' OAB' ' A' ' 6' ' ' 4FU . . . . . . . . 0 CA--C 1.521 0.416 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.617 HG22 ' H ' ' A' ' 10' ' ' ILE . 13.1 p -113.17 144.2 21.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 t -113.02 10.63 18.83 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.745 HD13 ' N ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -153.56 -148.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.716 177.351 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.655 ' C ' ' NE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -82.58 -175.93 6.0 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -179.012 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 96.1 mmm -132.69 144.22 50.16 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.025 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -82.43 171.98 13.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.308 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 47.9 t -61.99 -48.77 78.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.113 0.482 . . . . 0.0 110.73 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.585 ' O ' ' HB2' ' A' ' 17' ' ' DAL . 91.7 m-70 -159.18 20.25 0.19 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.848 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.585 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.612 ' CE1' HG21 ' A' ' 3' ' ' ILE . 5.7 p90 -147.11 157.8 43.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.699 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.455 ' HA ' ' CE1' ' A' ' 29' ' ' HIS . 25.9 m95 -120.52 136.18 54.86 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.726 HG13 ' O ' ' A' ' 20' ' ' VAL . 13.6 p -109.88 106.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.794 ' H ' HH12 ' A' ' 4' ' ' ARG . 86.7 mt-30 -123.37 89.21 3.06 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.957 0.408 . . . . 0.0 110.352 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.679 ' N ' HH22 ' A' ' 4' ' ' ARG . 35.2 m -68.29 132.42 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.587 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' DPR . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' OE1' ' O ' ' A' ' 27' ' ' PHE . 5.1 mm-40 . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.942 0.401 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.465 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 7.2 m-30 . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.658 0.266 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.672 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.849 0 CA-C-O 120.849 0.357 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.664 ' CG ' ' N ' ' A' ' 28' ' ' LYS . 69.1 t60 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.203 0.525 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 120.53 0.205 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.402 ' CD ' ' C ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.724 0.297 . . . . 0.0 111.24 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.57 ' CD1' ' CG ' ' A' ' 18' ' ' PHE . 12.3 tt . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.157 0.503 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.466 ' O ' ' O ' ' A' ' 9' ' ' THR . 47.9 mmm-85 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 5' ' ' VAL . 9.3 p . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' 4FU . . . . . 0.585 ' OAB' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.585 ' N ' ' OAB' ' A' ' 6' ' ' 4FU . . . . . . . . 0 N--CA 1.47 0.932 0 N-CA-C 112.699 -0.16 . . . . 0.0 112.699 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -127.71 130.93 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.002 0.43 . . . . 0.0 111.195 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.513 HG22 ' SD ' ' A' ' 12' ' ' MET . 9.6 t -86.7 -164.3 1.04 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.213 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.454 ' N ' ' OG1' ' A' ' 9' ' ' THR . 82.1 mt -59.94 -49.52 83.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.833 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HG2' ' NH2' ' A' ' 11' ' ' ARG . 11.7 tpt180 -160.3 128.26 4.63 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.513 ' SD ' HG22 ' A' ' 9' ' ' THR . 27.3 ptt? -171.32 163.41 7.0 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.77 0.319 . . . . 0.0 110.693 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' H ' ' CZ ' ' A' ' 13' ' ' ARG . 11.1 mmp_? 51.11 -120.77 1.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.456 0.646 . . . . 0.0 110.928 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' DAL . . . . . 0.538 ' O ' ' CZ ' ' A' ' 18' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.402 ' H ' ' HB1' ' A' ' 14' ' ' DAL . 47.4 t -118.47 -6.92 10.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.976 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.13 18.35 2.61 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.705 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' DAL . . . . . 0.522 ' C ' ' CD1' ' A' ' 18' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.57 ' CG ' ' CD1' ' A' ' 3' ' ' ILE . 5.3 m-85 -139.58 125.66 19.9 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -97.43 144.97 26.63 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.289 0.566 . . . . 0.0 111.119 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.68 HG22 ' N ' ' A' ' 21' ' ' GLN . 12.0 p -151.64 171.67 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.817 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.68 ' N ' HG22 ' A' ' 20' ' ' VAL . 88.4 mt-30 118.85 -52.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 O-C-N 125.213 1.571 . . . . 0.0 112.143 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 22' ' ' VAL . 27.3 m -147.42 85.47 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 122.139 -0.35 . . . . 0.0 110.82 178.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' DPR . . . . . 0.423 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' 4G6 . . . . . 0.423 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.228 -0.068 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.564 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 4.5 mm-40 . . . . . 0 N--CA 1.485 1.314 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 6.5 m-30 . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 118.69 -0.672 . . . . 0.0 112.794 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.6 mttm . . . . . 0 C--O 1.234 0.24 0 CA-C-O 121.689 0.757 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.418 ' CE1' HG22 ' A' ' 3' ' ' ILE . 19.5 p-80 . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 121.182 0.515 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' NH2 . . . . . 0.585 ' N ' HG22 ' A' ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.585 HG22 ' N ' ' A' ' 0' ' ' NH2 . 93.7 m . . . . . 0 CA--C 1.52 -0.178 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.615 HG22 ' CZ ' ' A' ' 18' ' ' PHE . 1.7 pp . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.551 ' O ' HG21 ' A' ' 10' ' ' ILE . 46.4 ttt85 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.798 0.332 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' 4FU . . . . . 0.532 ' C15' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.532 ' N ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 N--CA 1.464 0.533 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.19 135.18 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 p -67.6 158.92 30.97 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.309 0.576 . . . . 0.0 111.718 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.686 ' O ' HG23 ' A' ' 10' ' ' ILE . 15.8 tt -175.16 62.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 114.61 -1.177 . . . . 0.0 108.988 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -63.96 -136.45 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.046 -1.434 . . . . 0.0 112.353 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 ptm 41.77 -168.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.302 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.604 ' O ' ' HB2' ' A' ' 14' ' ' DAL . 8.2 ptm180 -129.08 -176.57 3.91 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.819 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' DAL . . . . . 0.604 ' HB2' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t -59.63 -45.45 91.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.86 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -168.72 16.52 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.515 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.673 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 6.6 p90 -152.34 -178.14 6.63 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.475 ' N ' ' CD1' ' A' ' 19' ' ' TRP . 6.4 p-90 -124.49 139.74 53.6 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.1 149.92 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 119.976 -0.689 . . . . 0.0 111.482 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -137.59 126.34 23.9 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 26' ' ' GLU . 27.8 m -152.25 156.19 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' DPR . . . . . 0.468 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' 4G6 . . . . . 0.468 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.751 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 120.897 0.379 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 22' ' ' VAL . 4.9 mm-40 . . . . . 0 C--O 1.23 0.04 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.432 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.966 0.412 . . . . 0.0 111.485 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.521 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 10.9 mptt . . . . . 0 C--O 1.243 0.722 0 CA-C-O 121.385 0.612 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.673 ' ND1' ' O ' ' A' ' 18' ' ' PHE . 45.6 t60 . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 121.553 0.692 . . . . 0.0 112.544 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 111.159 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 3' ' ' ILE . 7.0 tp . . . . . 0 N--CA 1.467 0.391 0 CA-C-O 120.931 0.396 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.519 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.462 0.135 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 5' ' ' VAL . 32.3 m . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.965 0.412 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' HB ' ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.469 0.845 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.85 HG12 ' H ' ' A' ' 9' ' ' THR . 39.4 t 88.66 179.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.924 0.89 . . . . 0.0 110.262 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.85 ' H ' HG12 ' A' ' 8' ' ' VAL . 75.9 p 66.94 161.35 0.16 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.577 0.751 . . . . 0.0 112.367 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.552 HG23 ' N ' ' A' ' 11' ' ' ARG . 11.6 tt -163.92 -45.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.552 -1.203 . . . . 0.0 110.821 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.552 ' N ' HG23 ' A' ' 10' ' ' ILE . 16.7 ptm180 -84.15 -173.88 4.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.438 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.439 ' O ' ' O ' ' A' ' 11' ' ' ARG . 16.6 tpt 59.15 142.11 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.602 ' HD3' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.184 0 CA-C-O 121.073 0.464 . . . . 0.0 111.164 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.765 0.317 . . . . 0.0 111.459 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 . . . . . 0 N--CA 1.467 0.406 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.35 -179.752 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.486 ' CE1' ' CD2' ' A' ' 29' ' ' HIS . 8.6 p90 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.736 0.303 . . . . 0.0 111.437 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -110.16 141.06 43.59 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 20' ' ' VAL . 9.7 p -152.39 132.43 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.936 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 2.9 pm0 -149.95 153.03 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.438 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.43 ' CG2' ' NZ ' ' A' ' 25' ' ' LYS . 34.9 m . . . . . 0 N--CA 1.463 0.194 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.91 0.386 . . . . 0.0 110.414 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.53 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.3 mp0 . . . . . 0 C--O 1.234 0.28 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 111.884 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.3 mttt . . . . . 0 C--O 1.238 0.483 0 CA-C-O 121.324 0.583 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.506 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 8.9 p80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.975 0.417 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.589 0.233 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.946 HD12 ' CZ ' ' A' ' 18' ' ' PHE . 11.8 tt . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 9' ' ' THR . 41.0 ttm180 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.657 0.265 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 57.7 t . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.735 0.303 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.467 0.746 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 7' ' ' GLY . 30.1 m 47.73 159.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.596 0.712 . . . . 0.0 112.398 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.642 HG22 ' N ' ' A' ' 10' ' ' ILE . 96.9 m -151.46 169.62 21.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.502 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.642 ' N ' HG22 ' A' ' 9' ' ' THR . 31.4 pt -69.4 -161.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 0.0 111.329 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.428 ' HD2' ' O ' ' A' ' 11' ' ' ARG . 4.9 ppt_? -73.15 156.92 38.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.479 ' CE ' HG21 ' A' ' 9' ' ' THR . 65.8 mtt -151.61 123.2 7.91 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.732 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' MET . 54.4 mtp85 . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 121.327 0.584 . . . . 0.0 112.055 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 121.222 0.534 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.468 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.946 ' CZ ' HD12 ' A' ' 3' ' ' ILE . 5.2 p90 . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.971 0.415 . . . . 0.0 111.459 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -95.19 140.59 29.89 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.152 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 20' ' ' VAL . 12.8 p -130.22 93.06 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-O 121.149 0.5 . . . . 0.0 109.882 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.704 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 1.3 mp0 -100.45 147.53 25.76 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.471 0.595 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.706 -179.484 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.083 0.468 . . . . 0.0 110.603 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' PHE . 4.6 mm-40 . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.474 ' HA ' HG13 ' A' ' 20' ' ' VAL . 0.9 OUTLIER . . . . . 0 CA--C 1.535 0.365 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.237 0.433 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 20.3 p-80 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 121.053 0.454 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 75.6 mt . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 120.945 0.402 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.513 ' HE ' HG22 ' A' ' 9' ' ' THR . 39.8 ptt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.423 0.63 . . . . 0.0 111.661 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -85.11 125.21 40.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.513 HG22 ' HE ' ' A' ' 4' ' ' ARG . 77.5 p -130.06 161.27 31.39 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.915 0.864 . . . . 0.0 112.629 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 10' ' ' ILE . 13.3 tt -159.96 153.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.08 -1.418 . . . . 0.0 109.473 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -138.07 40.71 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 mmt -88.34 144.81 26.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.988 0.423 . . . . 0.0 110.751 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.432 ' HD3' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.197 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.41 ' OG ' ' ND1' ' A' ' 16' ' ' HIS . 82.2 p . . . . . 0 C--O 1.231 0.131 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.41 ' ND1' ' OG ' ' A' ' 15' ' ' SER . 22.1 p-80 . . . . . 0 C--N 1.32 -0.689 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.437 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.526 ' O ' ' CE1' ' A' ' 29' ' ' HIS . 8.2 m-85 . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -96.88 134.91 39.59 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.662 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.553 HG12 ' HD1' ' A' ' 29' ' ' HIS . 9.8 p -137.7 128.96 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -134.88 138.15 43.88 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 22' ' ' VAL . 34.5 m . . . . . 0 CA--C 1.536 0.421 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.404 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' NZ ' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.689 0.281 . . . . 0.0 110.274 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.52 ' CD ' ' N ' ' A' ' 26' ' ' GLU . 8.3 mp0 . . . . . 0 C--O 1.235 0.296 0 CA-C-O 121.05 0.452 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 20' ' ' VAL . 75.6 mmtt . . . . . 0 C--O 1.237 0.423 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.683 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 36.6 t-80 . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 122.019 0.914 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.504 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.353 0.121 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 4' ' ' ARG . 23.5 pt . . . . . 0 CA--C 1.546 0.793 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.6 ' O ' HG23 ' A' ' 3' ' ' ILE . 79.4 mtp180 . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.978 HG21 ' H ' ' A' ' 9' ' ' THR . 7.4 p . . . . . 0 C--O 1.23 0.076 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.729 0 CA-C-O 120.008 -0.329 . . . . 0.0 113.588 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.5 ' H ' ' HB ' ' A' ' 5' ' ' VAL . 58.3 t 56.02 68.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.66 0.743 . . . . 0.0 109.695 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.978 ' H ' HG21 ' A' ' 5' ' ' VAL . 71.6 p -144.12 -161.21 1.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.46 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.804 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.4 mp -102.22 -47.49 11.11 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.694 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -43.16 161.88 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.398 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.567 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -160.99 178.17 9.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.512 -178.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.526 ' C ' HH11 ' A' ' 4' ' ' ARG . 8.3 ptm180 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.211 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.5 m . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 121.202 0.525 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.568 -179.892 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.456 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 5.7 m-85 . . . . . 0 N--CA 1.462 0.156 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.418 ' H ' ' HD3' ' A' ' 4' ' ' ARG . 27.4 m95 -128.21 146.37 50.75 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.144 0.497 . . . . 0.0 111.844 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 20' ' ' VAL . 11.1 p -163.08 93.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.447 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.685 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 1.0 OUTLIER -98.85 99.91 11.04 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.339 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 120.593 -0.443 . . . . 0.0 112.135 -177.705 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.728 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.0 mp0 . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 120.511 0.196 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.066 0.46 . . . . 0.0 110.749 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.552 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 10.8 mptt . . . . . 0 N--CA 1.446 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.421 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 23.3 t-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.014 0.435 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.588 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.733 ' O ' HD12 ' A' ' 3' ' ' ILE . 1.9 pp . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.059 0.457 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 CA--C 1.522 -0.135 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.503 HG11 HG23 ' A' ' 20' ' ' VAL . 35.0 m . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.418 0.628 . . . . 0.0 111.851 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.804 0 CA-C-O 120.38 -0.122 . . . . 0.0 113.402 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.528 HG22 ' N ' ' A' ' 9' ' ' THR . 7.7 p -104.43 159.96 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 116.967 0.384 . . . . 0.0 111.336 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.557 ' C ' HD12 ' A' ' 10' ' ' ILE . 95.5 m -118.91 129.11 55.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.704 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.776 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.3 mp -104.26 124.58 58.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 121.483 0.659 . . . . 0.0 111.593 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -68.64 171.72 7.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.654 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.569 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.3 OUTLIER -72.66 100.27 2.77 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.531 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 30.1 tpt180 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.382 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.527 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 54.5 m . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.527 ' ND1' ' C ' ' A' ' 15' ' ' SER . 25.2 p-80 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.479 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 13' ' ' ARG . 6.4 m-85 . . . . . 0 N--CA 1.47 0.543 0 CA-C-O 121.05 0.452 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -121.86 138.65 54.31 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.842 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.671 HG22 ' N ' ' A' ' 21' ' ' GLN . 10.1 p -115.84 169.17 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.671 ' N ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -172.36 48.62 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.333 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.526 -179.072 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.167 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' A' ' 28' ' ' LYS . 9.2 mp0 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 121.195 0.521 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' HD2' ' HD1' ' A' ' 29' ' ' HIS . 9.3 m-30 . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 120.852 0.358 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 97.4 mttt . . . . . 0 C--O 1.236 0.378 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.454 ' HD1' ' HD2' ' A' ' 27' ' ' PHE . 25.9 t-80 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.832 0.349 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.479 ' OE2' ' O ' ' A' ' 10' ' ' ILE . 8.6 mp0 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 120.579 0.228 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 pt . . . . . 0 N--CA 1.465 0.318 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.632 ' N ' HG22 ' A' ' 5' ' ' VAL . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.772 0.32 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.632 HG22 ' N ' ' A' ' 4' ' ' ARG . 9.2 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.015 0.436 . . . . 0.0 111.769 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 112.77 -0.132 . . . . 0.0 112.77 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.7 t -81.08 116.97 26.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -77.76 147.85 35.12 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.482 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.479 ' O ' ' OE2' ' A' ' 2' ' ' GLU . 49.3 mm -129.54 121.1 52.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.176 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.519 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -156.11 31.49 0.34 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.54 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.456 ' O ' ' O ' ' A' ' 13' ' ' ARG . 68.9 mtm -118.2 130.81 56.3 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 12' ' ' MET . 55.5 mtp85 . . . . . 0 CA--C 1.516 -0.33 0 CA-C-O 121.324 0.583 . . . . 0.0 111.877 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.582 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 36.3 t-80 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 114.32 -1.309 . . . . 0.0 109.225 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 N--CA 1.47 0.562 0 CA-C-O 120.835 0.35 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -126.99 136.32 52.08 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.756 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.1 t -137.18 138.46 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.151 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.514 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -156.73 62.99 0.52 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.811 0.815 . . . . 0.0 111.488 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.469 HG23 ' NZ ' ' A' ' 25' ' ' LYS . 27.1 m . . . . . 0 CA--C 1.534 0.346 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.461 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.53 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.4 mp0 . . . . . 0 C--O 1.244 0.788 0 CA-C-O 121.78 0.8 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.426 0 CA-C-O 121.231 0.539 . . . . 0.0 112.239 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 29' ' ' HIS . 61.1 mttp . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.551 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 28.9 t-80 . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 121.174 0.511 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 120.629 0.252 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.926 ' O ' HD12 ' A' ' 3' ' ' ILE . 1.8 pp . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 121.156 0.503 . . . . 0.0 111.654 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.601 ' N ' HG22 ' A' ' 5' ' ' VAL . 40.2 ptt85 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.601 HG22 ' N ' ' A' ' 4' ' ' ARG . 14.7 p . . . . . 0 C--O 1.232 0.173 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.463 0.466 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 7' ' ' GLY . 25.9 m -52.75 -168.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.191 -0.504 . . . . 0.0 110.457 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' VAL . 9.5 t -43.56 167.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.136 0.493 . . . . 0.0 110.673 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.425 HG23 ' NH2' ' A' ' 4' ' ' ARG . 80.7 mt -102.73 -42.77 8.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.117 -178.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -68.55 43.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.251 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.565 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.3 OUTLIER -103.24 119.47 38.93 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.058 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.515 ' O ' ' SD ' ' A' ' 12' ' ' MET . 41.2 ttm180 . . . . . 0 N--CA 1.462 0.17 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 121.309 0.576 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.5 m80 . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.596 179.882 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 19' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 122.0 0.905 . . . . 0.0 112.54 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.653 ' CE3' ' CE2' ' A' ' 27' ' ' PHE . 24.8 m95 -146.09 -178.66 6.25 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.888 -0.507 . . . . 0.0 111.549 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.2 p -131.25 113.5 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 2.8 pm0 -138.02 123.85 19.99 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.025 -177.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.468 HG11 HG12 ' A' ' 5' ' ' VAL . 29.0 m . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.792 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.584 0.23 . . . . 0.0 110.461 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.6 mp0 . . . . . 0 C--O 1.234 0.252 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.653 ' CE2' ' CE3' ' A' ' 19' ' ' TRP . 11.8 m-30 . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 121.002 0.43 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' N ' ' CE3' ' A' ' 19' ' ' TRP . 75.5 mmtt . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.531 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 31.9 t-80 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.953 0.406 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.612 HG21 ' CE1' ' A' ' 18' ' ' PHE . 6.4 tp . . . . . 0 N--CA 1.463 0.194 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.794 HH12 ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.115 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 5' ' ' VAL . 35.7 m . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 121.361 0.6 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.416 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.617 HG22 ' H ' ' A' ' 10' ' ' ILE . 13.1 p -113.17 144.2 21.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 t -113.02 10.63 18.83 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.745 HD13 ' N ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -153.56 -148.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.716 177.351 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.655 ' C ' ' NE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -82.58 -175.93 6.0 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -179.012 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 96.1 mmm -132.69 144.22 50.16 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.025 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.308 179.675 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 47.9 t . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 121.113 0.482 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 15' ' ' SER . 91.7 m-70 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.848 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.612 ' CE1' HG21 ' A' ' 3' ' ' ILE . 5.7 p90 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.571 0.224 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.455 ' HA ' ' CE1' ' A' ' 29' ' ' HIS . 25.9 m95 -120.52 136.18 54.86 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.726 HG13 ' O ' ' A' ' 20' ' ' VAL . 13.6 p -109.88 106.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.794 ' H ' HH12 ' A' ' 4' ' ' ARG . 86.7 mt-30 -123.37 89.21 3.06 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.957 0.408 . . . . 0.0 110.352 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.679 ' N ' HH22 ' A' ' 4' ' ' ARG . 35.2 m . . . . . 0 CA--C 1.53 0.182 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.587 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' OE1' ' O ' ' A' ' 27' ' ' PHE . 5.1 mm-40 . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.942 0.401 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.465 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 7.2 m-30 . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.658 0.266 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.672 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.849 0 CA-C-O 120.849 0.357 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.664 ' CG ' ' N ' ' A' ' 28' ' ' LYS . 69.1 t60 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.203 0.525 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.402 ' CD ' ' C ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.724 0.297 . . . . 0.0 111.24 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.57 ' CD1' ' CG ' ' A' ' 18' ' ' PHE . 12.3 tt . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.157 0.503 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.466 ' O ' ' O ' ' A' ' 9' ' ' THR . 47.9 mmm-85 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 5' ' ' VAL . 9.3 p . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.932 0 N-CA-C 112.699 -0.16 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -127.71 130.93 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.002 0.43 . . . . 0.0 111.195 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.513 HG22 ' SD ' ' A' ' 12' ' ' MET . 9.6 t -86.7 -164.3 1.04 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.213 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.454 ' N ' ' OG1' ' A' ' 9' ' ' THR . 82.1 mt -59.94 -49.52 83.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.833 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HG2' ' NH2' ' A' ' 11' ' ' ARG . 11.7 tpt180 -160.3 128.26 4.63 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.513 ' SD ' HG22 ' A' ' 9' ' ' THR . 27.3 ptt? -171.32 163.41 7.0 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.77 0.319 . . . . 0.0 110.693 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' H ' ' CZ ' ' A' ' 13' ' ' ARG . 11.1 mmp_? . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.456 0.646 . . . . 0.0 110.928 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.998 0.428 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.464 0.27 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.705 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.57 ' CG ' ' CD1' ' A' ' 3' ' ' ILE . 5.3 m-85 . . . . . 0 CA--C 1.517 -0.307 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -97.43 144.97 26.63 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.289 0.566 . . . . 0.0 111.119 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.68 HG22 ' N ' ' A' ' 21' ' ' GLN . 12.0 p -151.64 171.67 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.817 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.68 ' N ' HG22 ' A' ' 20' ' ' VAL . 88.4 mt-30 118.85 -52.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 O-C-N 125.213 1.571 . . . . 0.0 112.143 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 22' ' ' VAL . 27.3 m . . . . . 0 CA--C 1.541 0.6 0 O-C-N 122.139 -0.35 . . . . 0.0 110.82 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.228 -0.068 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.564 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 4.5 mm-40 . . . . . 0 N--CA 1.485 1.314 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 6.5 m-30 . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 118.69 -0.672 . . . . 0.0 112.794 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.6 mttm . . . . . 0 C--O 1.234 0.24 0 CA-C-O 121.689 0.757 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.418 ' CE1' HG22 ' A' ' 3' ' ' ILE . 19.5 p-80 . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 121.182 0.515 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.615 HG22 ' CZ ' ' A' ' 18' ' ' PHE . 1.7 pp . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.551 ' O ' HG21 ' A' ' 10' ' ' ILE . 46.4 ttt85 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.798 0.332 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.533 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.19 135.18 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 p -67.6 158.92 30.97 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.309 0.576 . . . . 0.0 111.718 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.686 ' O ' HG23 ' A' ' 10' ' ' ILE . 15.8 tt -175.16 62.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 114.61 -1.177 . . . . 0.0 108.988 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -63.96 -136.45 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.046 -1.434 . . . . 0.0 112.353 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 ptm 41.77 -168.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.302 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 N--CA 1.47 0.568 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.819 -178.132 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.515 179.851 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.673 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 6.6 p90 . . . . . 0 C--O 1.217 -0.617 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.475 ' N ' ' CD1' ' A' ' 19' ' ' TRP . 6.4 p-90 -124.49 139.74 53.6 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.1 149.92 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 119.976 -0.689 . . . . 0.0 111.482 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.644 HE21 ' HZ1' ' A' ' 25' ' ' LYS . 84.8 mt-30 -137.59 126.34 23.9 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 26' ' ' GLU . 27.8 m . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.644 ' HZ1' HE21 ' A' ' 21' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 120.897 0.379 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 22' ' ' VAL . 4.9 mm-40 . . . . . 0 C--O 1.23 0.04 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.432 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.966 0.412 . . . . 0.0 111.485 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.521 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 10.9 mptt . . . . . 0 C--O 1.243 0.722 0 CA-C-O 121.385 0.612 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.673 ' ND1' ' O ' ' A' ' 18' ' ' PHE . 45.6 t60 . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 121.553 0.692 . . . . 0.0 112.544 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.474 ' CG2' HH22 ' A' ' 13' ' ' ARG . 72.7 p . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.495 0.188 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.827 0.346 . . . . 0.0 111.159 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 3' ' ' ILE . 7.0 tp . . . . . 0 N--CA 1.467 0.391 0 CA-C-O 120.931 0.396 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.519 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.462 0.135 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 5' ' ' VAL . 32.3 m . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.965 0.412 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' 4FU . . . . . 0.555 ' C15' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.555 ' N ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 N--CA 1.469 0.845 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.85 HG12 ' H ' ' A' ' 9' ' ' THR . 39.4 t 88.66 179.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.924 0.89 . . . . 0.0 110.262 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.85 ' H ' HG12 ' A' ' 8' ' ' VAL . 75.9 p 66.94 161.35 0.16 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.577 0.751 . . . . 0.0 112.367 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.552 HG23 ' N ' ' A' ' 11' ' ' ARG . 11.6 tt -163.92 -45.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 114.552 -1.203 . . . . 0.0 110.821 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.552 ' N ' HG23 ' A' ' 10' ' ' ILE . 16.7 ptm180 -84.15 -173.88 4.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.438 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.439 ' O ' ' O ' ' A' ' 11' ' ' ARG . 16.6 tpt 59.15 142.11 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.602 ' HD3' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -165.65 167.78 16.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.073 0.464 . . . . 0.0 111.164 179.475 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' DAL . . . . . 0.472 ' HB3' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.7 m -61.15 -40.72 94.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.459 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -149.24 10.77 0.78 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.35 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.486 ' CE1' ' CD2' ' A' ' 29' ' ' HIS . 8.6 p90 -158.69 160.45 36.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.437 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -110.16 141.06 43.59 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 20' ' ' VAL . 9.7 p -152.39 132.43 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.936 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 2.9 pm0 -149.95 153.03 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.438 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.43 ' CG2' ' NZ ' ' A' ' 25' ' ' LYS . 34.9 m -86.2 149.27 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' DPR . . . . . 0.447 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' 4G6 . . . . . 0.447 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.91 0.386 . . . . 0.0 110.414 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.53 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.3 mp0 . . . . . 0 C--O 1.234 0.28 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.037 0.446 . . . . 0.0 111.884 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.3 mttt . . . . . 0 C--O 1.238 0.483 0 CA-C-O 121.324 0.583 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.506 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 8.9 p80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.975 0.417 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.549 ' N ' ' O ' ' A' ' 3' ' ' ILE . 9.7 t . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.46 0.171 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.589 0.233 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.946 HD12 ' CZ ' ' A' ' 18' ' ' PHE . 11.8 tt . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 9' ' ' THR . 41.0 ttm180 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.657 0.265 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 57.7 t . . . . . 0 N--CA 1.464 0.239 0 CA-C-O 120.735 0.303 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' 4FU . . . . . 0.537 ' C7 ' ' OAB' ' A' ' 6' ' ' 4FU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' O ' ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.467 0.746 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.488 ' O ' ' O ' ' A' ' 7' ' ' GLY . 30.1 m 47.73 159.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.596 0.712 . . . . 0.0 112.398 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.642 HG22 ' N ' ' A' ' 10' ' ' ILE . 96.9 m -151.46 169.62 21.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.502 -178.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.642 ' N ' HG22 ' A' ' 9' ' ' THR . 31.4 pt -69.4 -161.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 0.0 111.329 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' HD2' ' O ' ' A' ' 11' ' ' ARG . 4.9 ppt_? -73.15 156.92 38.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.479 ' CE ' HG21 ' A' ' 9' ' ' THR . 65.8 mtt -151.61 123.2 7.91 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.732 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' MET . 54.4 mtp85 34.7 -155.13 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.327 0.584 . . . . 0.0 112.055 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -61.22 -44.19 97.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.79 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.468 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 0.6 OUTLIER -92.44 14.03 17.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.865 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.946 ' CZ ' HD12 ' A' ' 3' ' ' ILE . 5.2 p90 -149.2 -179.03 6.73 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.459 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -95.19 140.59 29.89 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.152 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 20' ' ' VAL . 12.8 p -130.22 93.06 1.84 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-O 121.149 0.5 . . . . 0.0 109.882 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.704 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 1.3 mp0 -100.45 147.53 25.76 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -143.53 152.12 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.706 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' DPR . . . . . 0.487 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' 4G6 . . . . . 0.487 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.083 0.468 . . . . 0.0 110.603 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' PHE . 4.6 mm-40 . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.474 ' HA ' HG13 ' A' ' 20' ' ' VAL . 0.9 OUTLIER . . . . . 0 CA--C 1.535 0.365 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.237 0.433 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 20.3 p-80 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 94.1 m . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.529 0.204 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 121.053 0.454 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 75.6 mt . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 120.945 0.402 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.513 ' HE ' HG22 ' A' ' 9' ' ' THR . 39.8 ptt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.423 0.63 . . . . 0.0 111.661 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' 4FU . . . . . 0.477 ' OAB' ' C7 ' ' A' ' 6' ' ' 4FU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.47 ' N ' ' OAB' ' A' ' 6' ' ' 4FU . 57.6 t -85.11 125.21 40.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.513 HG22 ' HE ' ' A' ' 4' ' ' ARG . 77.5 p -130.06 161.27 31.39 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.915 0.864 . . . . 0.0 112.629 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 10' ' ' ILE . 13.3 tt -159.96 153.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.08 -1.418 . . . . 0.0 109.473 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -138.07 40.71 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 mmt -88.34 144.81 26.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.988 0.423 . . . . 0.0 110.751 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.574 ' O ' ' HB3' ' A' ' 14' ' ' DAL . 0.0 OUTLIER -86.13 123.13 31.08 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.744 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' DAL . . . . . 0.574 ' HB3' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.41 ' OG ' ' ND1' ' A' ' 16' ' ' HIS . 82.2 p -62.95 -39.78 95.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.4 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' A' ' 17' ' ' DAL . 22.1 p-80 -154.58 41.22 0.47 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.437 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.571 ' C ' ' CD1' ' A' ' 18' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.571 ' CD1' ' C ' ' A' ' 17' ' ' DAL . 8.2 m-85 -142.59 -177.83 5.48 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.781 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -96.88 134.91 39.59 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.662 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.553 HG12 ' HD1' ' A' ' 29' ' ' HIS . 9.8 p -137.7 128.96 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -134.88 138.15 43.88 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 22' ' ' VAL . 34.5 m -91.79 118.12 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.404 -178.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' DPR . . . . . 0.416 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' 4G6 . . . . . 0.416 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.689 0.281 . . . . 0.0 110.274 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.3 mp0 . . . . . 0 C--O 1.235 0.296 0 CA-C-O 121.05 0.452 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 30' ' ' ACE . 75.6 mmtt . . . . . 0 C--O 1.237 0.423 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.683 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 36.6 t-80 . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 122.019 0.914 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ACE . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' NH2 . . . . . 0.521 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 2' ' ' GLU . 7.3 t . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 0' ' ' NH2 . 0.3 OUTLIER . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.353 0.121 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 4' ' ' ARG . 23.5 pt . . . . . 0 CA--C 1.546 0.793 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.6 ' O ' HG23 ' A' ' 3' ' ' ILE . 79.4 mtp180 . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.978 HG21 ' H ' ' A' ' 9' ' ' THR . 7.4 p . . . . . 0 C--O 1.23 0.076 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' 4FU . . . . . 0.445 ' C15' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' N ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 N--CA 1.467 0.729 0 CA-C-O 120.008 -0.329 . . . . 0.0 113.588 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.5 ' H ' ' HB ' ' A' ' 5' ' ' VAL . 58.3 t 56.02 68.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.66 0.743 . . . . 0.0 109.695 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.978 ' H ' HG21 ' A' ' 5' ' ' VAL . 71.6 p -144.12 -161.21 1.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.46 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.804 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.4 mp -102.22 -47.49 11.11 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.694 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -43.16 161.88 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 114.407 -1.27 . . . . 0.0 110.398 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.567 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -160.99 178.17 9.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.512 -178.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.526 ' C ' HH11 ' A' ' 4' ' ' ARG . 8.3 ptm180 -155.95 177.89 10.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.211 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.5 m -66.23 -41.0 90.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.682 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -164.8 59.32 0.13 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.568 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.413 ' C ' ' CD1' ' A' ' 18' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.456 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 5.7 m-85 -127.07 130.11 49.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.418 ' H ' ' HD3' ' A' ' 4' ' ' ARG . 27.4 m95 -128.21 146.37 50.75 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.144 0.497 . . . . 0.0 111.844 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.718 HG13 ' O ' ' A' ' 20' ' ' VAL . 11.1 p -163.08 93.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.447 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.685 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 1.0 OUTLIER -98.85 99.91 11.04 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.339 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' DPR . 34.3 m -150.36 154.49 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 120.593 -0.443 . . . . 0.0 112.135 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' DPR . . . . . 0.529 ' O ' ' CAE' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' 4G6 . . . . . 0.529 ' CAE' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.728 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.0 mp0 . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 120.511 0.196 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.066 0.46 . . . . 0.0 110.749 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.552 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 10.8 mptt . . . . . 0 N--CA 1.446 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.421 ' CD2' ' HB2' ' A' ' 18' ' ' PHE . 23.3 t-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.014 0.435 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' NH2 . . . . . 0.714 ' N ' ' HG1' ' A' ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.714 ' HG1' ' N ' ' A' ' 0' ' ' NH2 . 10.0 t . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.503 0.192 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.588 ' OE1' ' C ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.733 ' O ' HD12 ' A' ' 3' ' ' ILE . 1.9 pp . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.059 0.457 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 CA--C 1.522 -0.135 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.503 HG11 HG23 ' A' ' 20' ' ' VAL . 35.0 m . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.418 0.628 . . . . 0.0 111.851 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' 4FU . . . . . 0.435 ' C7 ' ' C12' ' A' ' 6' ' ' 4FU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' N ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 CA--C 1.527 0.804 0 CA-C-O 120.38 -0.122 . . . . 0.0 113.402 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.528 HG22 ' N ' ' A' ' 9' ' ' THR . 7.7 p -104.43 159.96 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 116.967 0.384 . . . . 0.0 111.336 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.557 ' C ' HD12 ' A' ' 10' ' ' ILE . 95.5 m -118.91 129.11 55.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.704 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.776 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.3 mp -104.26 124.58 58.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-O 121.483 0.659 . . . . 0.0 111.593 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -68.64 171.72 7.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.654 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.569 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.3 OUTLIER -72.66 100.27 2.77 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.531 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 30.1 tpt180 -172.84 122.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.382 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 17' ' ' DAL . 54.5 m -83.28 106.9 15.43 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' ND1' ' C ' ' A' ' 15' ' ' SER . 25.2 p-80 33.79 27.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.479 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.548 ' N ' ' O ' ' A' ' 15' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 13' ' ' ARG . 6.4 m-85 -125.7 146.08 49.9 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.05 0.452 . . . . 0.0 110.418 178.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -121.86 138.65 54.31 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.842 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.671 HG22 ' N ' ' A' ' 21' ' ' GLN . 10.1 p -115.84 169.17 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.671 ' N ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -172.36 48.62 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.333 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.8 m -74.05 149.61 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.526 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' DPR . . . . . 0.437 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' 4G6 . . . . . 0.437 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.167 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' OE1' ' O ' ' A' ' 28' ' ' LYS . 9.2 mp0 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 121.195 0.521 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' HD2' ' HD1' ' A' ' 29' ' ' HIS . 9.3 m-30 . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 120.852 0.358 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 30' ' ' ACE . 97.4 mttt . . . . . 0 C--O 1.236 0.378 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.454 ' HD1' ' HD2' ' A' ' 27' ' ' PHE . 25.9 t-80 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.832 0.349 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ACE . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.23 0.077 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' NH2 . . . . . 0.435 ' N ' ' HG1' ' A' ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.435 ' HG1' ' N ' ' A' ' 0' ' ' NH2 . 10.2 t . . . . . 0 N--CA 1.47 0.555 0 CA-C-O 120.553 0.216 . . . . 0.0 111.464 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.479 ' OE2' ' O ' ' A' ' 10' ' ' ILE . 8.6 mp0 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 120.579 0.228 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 pt . . . . . 0 N--CA 1.465 0.318 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.632 ' N ' HG22 ' A' ' 5' ' ' VAL . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.772 0.32 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.632 HG22 ' N ' ' A' ' 4' ' ' ARG . 9.2 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.015 0.436 . . . . 0.0 111.769 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' 4FU . . . . . 0.531 ' C15' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.531 ' N ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 112.77 -0.132 . . . . 0.0 112.77 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.7 t -81.08 116.97 26.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -77.76 147.85 35.12 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.482 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.479 ' O ' ' OE2' ' A' ' 2' ' ' GLU . 49.3 mm -129.54 121.1 52.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.176 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.519 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -156.11 31.49 0.34 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.54 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.456 ' O ' ' O ' ' A' ' 13' ' ' ARG . 68.9 mtm -118.2 130.81 56.3 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 12' ' ' MET . 55.5 mtp85 38.64 -164.09 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.324 0.583 . . . . 0.0 111.877 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' DAL . . . . . 0.557 ' HB1' ' O ' ' A' ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.0 t 53.66 23.9 3.93 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.582 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 36.3 t-80 67.53 54.13 0.69 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.32 -1.309 . . . . 0.0 109.225 -179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.557 ' O ' ' HB1' ' A' ' 14' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 14' ' ' DAL . 6.7 m-85 -127.22 138.67 53.16 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.835 0.35 . . . . 0.0 110.252 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -126.99 136.32 52.08 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.756 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.1 t -137.18 138.46 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.151 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.514 ' O ' ' OE1' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -156.73 62.99 0.52 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.811 0.815 . . . . 0.0 111.488 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.469 HG23 ' NZ ' ' A' ' 25' ' ' LYS . 27.1 m -71.06 160.97 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.461 -179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' DPR . . . . . 0.488 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' 4G6 . . . . . 0.488 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.53 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.4 mp0 . . . . . 0 C--O 1.244 0.788 0 CA-C-O 121.78 0.8 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.426 0 CA-C-O 121.231 0.539 . . . . 0.0 112.239 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 29' ' ' HIS . 61.1 mttp . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.551 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 28.9 t-80 . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 121.174 0.511 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.601 ' O ' HD13 ' A' ' 3' ' ' ILE . 70.6 p . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.628 0.252 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.577 ' HG3' HG23 ' A' ' 1' ' ' THR . 17.8 tp10 . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 120.629 0.252 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.926 ' O ' HD12 ' A' ' 3' ' ' ILE . 1.8 pp . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 121.156 0.503 . . . . 0.0 111.654 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.601 ' N ' HG22 ' A' ' 5' ' ' VAL . 40.2 ptt85 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.601 HG22 ' N ' ' A' ' 4' ' ' ARG . 14.7 p . . . . . 0 C--O 1.232 0.173 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' 4FU . . . . . 0.547 ' C15' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.547 ' N ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 N--CA 1.463 0.466 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 7' ' ' GLY . 25.9 m -52.75 -168.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.191 -0.504 . . . . 0.0 110.457 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' VAL . 9.5 t -43.56 167.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.136 0.493 . . . . 0.0 110.673 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.425 HG23 ' NH2' ' A' ' 4' ' ' ARG . 80.7 mt -102.73 -42.77 8.76 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.117 -178.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -68.55 43.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.251 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.565 ' C ' ' SD ' ' A' ' 12' ' ' MET . 0.3 OUTLIER -103.24 119.47 38.93 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.058 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.515 ' O ' ' SD ' ' A' ' 12' ' ' MET . 41.2 ttm180 -109.3 -112.25 0.31 Allowed 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' DAL . . . . . 0.476 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.7 t -62.3 -45.07 94.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.309 0.576 . . . . 0.0 110.478 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -69.31 -38.85 78.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.596 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -102.06 116.81 33.47 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 122.0 0.905 . . . . 0.0 112.54 179.665 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.653 ' CE3' ' CE2' ' A' ' 27' ' ' PHE . 24.8 m95 -146.09 -178.66 6.25 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 121.888 -0.507 . . . . 0.0 111.549 -178.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.2 p -131.25 113.5 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 21' ' ' GLN . 2.8 pm0 -138.02 123.85 19.99 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.025 -177.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.468 HG11 HG12 ' A' ' 5' ' ' VAL . 29.0 m -154.55 155.39 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -178.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' DPR . . . . . 0.53 ' O ' ' CAE' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' 4G6 . . . . . 0.53 ' CAE' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.792 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 120.584 0.23 . . . . 0.0 110.461 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 26' ' ' GLU . 8.6 mp0 . . . . . 0 C--O 1.234 0.252 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.653 ' CE2' ' CE3' ' A' ' 19' ' ' TRP . 11.8 m-30 . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 121.002 0.43 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' N ' ' CE3' ' A' ' 19' ' ' TRP . 75.5 mmtt . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.531 ' ND1' ' O ' ' A' ' 29' ' ' HIS . 31.9 t-80 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 94.5 m . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.62 0.248 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.953 0.406 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.612 HG21 ' CE1' ' A' ' 18' ' ' PHE . 6.4 tp . . . . . 0 N--CA 1.463 0.194 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.794 HH12 ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.115 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 5' ' ' VAL . 35.7 m . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 121.361 0.6 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' 4FU . . . . . 0.717 ' OAB' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.717 ' N ' ' OAB' ' A' ' 6' ' ' 4FU . . . . . . . . 0 CA--C 1.521 0.416 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.617 HG22 ' H ' ' A' ' 10' ' ' ILE . 13.1 p -113.17 144.2 21.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 t -113.02 10.63 18.83 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.745 HD13 ' N ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -153.56 -148.83 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.716 177.351 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.655 ' C ' ' NE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -82.58 -175.93 6.0 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -179.012 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 96.1 mmm -132.69 144.22 50.16 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.025 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -82.43 171.98 13.56 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.308 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 47.9 t -61.99 -48.77 78.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.113 0.482 . . . . 0.0 110.73 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.585 ' O ' ' HB2' ' A' ' 17' ' ' DAL . 91.7 m-70 -159.18 20.25 0.19 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.848 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.585 ' HB2' ' O ' ' A' ' 16' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.612 ' CE1' HG21 ' A' ' 3' ' ' ILE . 5.7 p90 -147.11 157.8 43.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.699 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.455 ' HA ' ' CE1' ' A' ' 29' ' ' HIS . 25.9 m95 -120.52 136.18 54.86 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.726 HG13 ' O ' ' A' ' 20' ' ' VAL . 13.6 p -109.88 106.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.794 ' H ' HH12 ' A' ' 4' ' ' ARG . 86.7 mt-30 -123.37 89.21 3.06 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.957 0.408 . . . . 0.0 110.352 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.679 ' N ' HH22 ' A' ' 4' ' ' ARG . 35.2 m -68.29 132.42 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.587 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' DPR . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' OE1' ' O ' ' A' ' 27' ' ' PHE . 5.1 mm-40 . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.942 0.401 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.465 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 7.2 m-30 . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.658 0.266 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.672 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.849 0 CA-C-O 120.849 0.357 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.664 ' CG ' ' N ' ' A' ' 28' ' ' LYS . 69.1 t60 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.203 0.525 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 70.3 p . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 120.53 0.205 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.402 ' CD ' ' C ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.724 0.297 . . . . 0.0 111.24 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.57 ' CD1' ' CG ' ' A' ' 18' ' ' PHE . 12.3 tt . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 121.157 0.503 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.466 ' O ' ' O ' ' A' ' 9' ' ' THR . 47.9 mmm-85 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 5' ' ' VAL . 9.3 p . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' 4FU . . . . . 0.585 ' OAB' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.585 ' N ' ' OAB' ' A' ' 6' ' ' 4FU . . . . . . . . 0 N--CA 1.47 0.932 0 N-CA-C 112.699 -0.16 . . . . 0.0 112.699 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -127.71 130.93 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 121.002 0.43 . . . . 0.0 111.195 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.513 HG22 ' SD ' ' A' ' 12' ' ' MET . 9.6 t -86.7 -164.3 1.04 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.213 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.454 ' N ' ' OG1' ' A' ' 9' ' ' THR . 82.1 mt -59.94 -49.52 83.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.833 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.461 ' HG2' ' NH2' ' A' ' 11' ' ' ARG . 11.7 tpt180 -160.3 128.26 4.63 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.513 ' SD ' HG22 ' A' ' 9' ' ' THR . 27.3 ptt? -171.32 163.41 7.0 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.77 0.319 . . . . 0.0 110.693 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' H ' ' CZ ' ' A' ' 13' ' ' ARG . 11.1 mmp_? 51.11 -120.77 1.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.456 0.646 . . . . 0.0 110.928 178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' DAL . . . . . 0.538 ' O ' ' CZ ' ' A' ' 18' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.402 ' H ' ' HB1' ' A' ' 14' ' ' DAL . 47.4 t -118.47 -6.92 10.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.976 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -139.13 18.35 2.61 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.705 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . 0.522 ' C ' ' CD1' ' A' ' 18' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.57 ' CG ' ' CD1' ' A' ' 3' ' ' ILE . 5.3 m-85 -139.58 125.66 19.9 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -97.43 144.97 26.63 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-O 121.289 0.566 . . . . 0.0 111.119 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.68 HG22 ' N ' ' A' ' 21' ' ' GLN . 12.0 p -151.64 171.67 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.817 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.68 ' N ' HG22 ' A' ' 20' ' ' VAL . 88.4 mt-30 118.85 -52.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 O-C-N 125.213 1.571 . . . . 0.0 112.143 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 22' ' ' VAL . 27.3 m -147.42 85.47 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 122.139 -0.35 . . . . 0.0 110.82 178.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' DPR . . . . . 0.423 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' 4G6 . . . . . 0.423 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.228 -0.068 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.564 ' N ' ' OE1' ' A' ' 21' ' ' GLN . 4.5 mm-40 . . . . . 0 N--CA 1.485 1.314 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 6.5 m-30 . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 118.69 -0.672 . . . . 0.0 112.794 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.6 mttm . . . . . 0 C--O 1.234 0.24 0 CA-C-O 121.689 0.757 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.418 ' CE1' HG22 ' A' ' 3' ' ' ILE . 19.5 p-80 . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 121.182 0.515 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' NH2 . . . . . 0.585 ' N ' HG22 ' A' ' 1' ' ' THR . . . . . . . . . . . . . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.585 HG22 ' N ' ' A' ' 0' ' ' NH2 . 93.7 m . . . . . 0 CA--C 1.52 -0.178 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.615 HG22 ' CZ ' ' A' ' 18' ' ' PHE . 1.7 pp . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.551 ' O ' HG21 ' A' ' 10' ' ' ILE . 46.4 ttt85 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.798 0.332 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' 4FU . . . . . 0.532 ' C15' ' N ' ' A' ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.532 ' N ' ' C15' ' A' ' 6' ' ' 4FU . . . . . . . . 0 N--CA 1.464 0.533 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.19 135.18 28.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 p -67.6 158.92 30.97 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.309 0.576 . . . . 0.0 111.718 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.686 ' O ' HG23 ' A' ' 10' ' ' ILE . 15.8 tt -175.16 62.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 114.61 -1.177 . . . . 0.0 108.988 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -63.96 -136.45 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.046 -1.434 . . . . 0.0 112.353 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 26.6 ptm 41.77 -168.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.302 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.604 ' O ' ' HB2' ' A' ' 14' ' ' DAL . 8.2 ptm180 -129.08 -176.57 3.91 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.819 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' DAL . . . . . 0.604 ' HB2' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.8 t -59.63 -45.45 91.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.86 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -168.72 16.52 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.515 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.673 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 6.6 p90 -152.34 -178.14 6.63 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.475 ' N ' ' CD1' ' A' ' 19' ' ' TRP . 6.4 p-90 -124.49 139.74 53.6 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.1 149.92 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 119.976 -0.689 . . . . 0.0 111.482 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.644 HE21 ' HZ1' ' A' ' 25' ' ' LYS . 84.8 mt-30 -137.59 126.34 23.9 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 26' ' ' GLU . 27.8 m -152.25 156.19 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' DPR . . . . . 0.468 ' O ' ' CAB' ' A' ' 24' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' 4G6 . . . . . 0.468 ' CAB' ' O ' ' A' ' 23' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.644 ' HZ1' HE21 ' A' ' 21' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 120.897 0.379 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' O ' ' A' ' 22' ' ' VAL . 4.9 mm-40 . . . . . 0 C--O 1.23 0.04 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.432 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.966 0.412 . . . . 0.0 111.485 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.521 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 10.9 mptt . . . . . 0 C--O 1.243 0.722 0 CA-C-O 121.385 0.612 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.673 ' ND1' ' O ' ' A' ' 18' ' ' PHE . 45.6 t60 . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 121.553 0.692 . . . . 0.0 112.544 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_