data_2m2h_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 2m2h _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.403 0 CA-C-O 120.37 -0.128 . . . . 0.0 113.216 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 N--CA 1.439 -1.007 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -178.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 N--CA 1.434 -1.254 0 CA-C-O 120.835 0.35 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 62.8 m -98.41 115.34 28.28 Favored 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.291 -1.955 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -178.211 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 4.0 mmp_? . . . . . 0 N--CA 1.435 -1.204 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 53.13 51.07 16.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.173 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.6 -28.47 7.62 Favored Glycine 0 N--CA 1.419 -2.486 0 CA-C-N 115.182 -0.917 . . . . 0.0 114.108 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 117.712 0.756 . . . . 0.0 110.362 -176.201 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 . . . . . 0 CA--C 1.507 -0.706 0 CA-C-O 120.576 0.226 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.2 m -98.04 115.44 28.23 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.301 -1.508 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -177.13 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 . . . . . 0 N--CA 1.435 -1.212 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 . . . . . 0 CA--C 1.542 0.645 0 CA-C-O 122.571 1.177 . . . . 0.0 110.683 -179.529 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.41 -3.072 0 CA-C-O 120.123 -0.265 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 N--CA 1.448 -0.571 0 CA-C-O 121.158 0.504 . . . . 0.0 110.29 -177.437 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 . . . . . 0 N--CA 1.44 -0.972 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 64.5 m -103.47 117.5 34.6 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.321 0.581 . . . . 0.0 110.501 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 C--N 1.296 -1.722 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.475 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 . . . . . 0 N--CA 1.433 -1.309 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 58.6 41.05 22.89 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.358 1.075 . . . . 0.0 109.545 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.18 -14.59 14.55 Favored Glycine 0 N--CA 1.435 -1.415 0 CA-C-N 114.961 -1.018 . . . . 0.0 114.106 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 C--N 1.321 -0.672 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -178.146 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 . . . . . 0 N--CA 1.425 -1.709 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -100.26 121.28 41.22 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.072 0.463 . . . . 0.0 110.152 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.2 t . . . . . 0 C--N 1.303 -1.44 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.669 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 . . . . . 0 N--CA 1.441 -0.876 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 . . . . . 0 C--O 1.238 0.49 0 C-N-CA 124.392 1.077 . . . . 0.0 109.801 179.296 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.665 0 N-CA-C 113.93 0.332 . . . . 0.0 113.93 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 117.277 0.538 . . . . 0.0 110.252 -175.91 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.466 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 36.4 mmt180 . . . . . 0 CA--C 1.494 -1.178 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 81.0 m -96.31 109.01 21.59 Favored 'General case' 0 C--N 1.29 -2.022 0 CA-C-O 121.366 0.603 . . . . 0.0 109.832 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 C--N 1.284 -2.265 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -178.195 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 . . . . . 0 N--CA 1.432 -1.359 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 51.22 57.68 6.36 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.647 1.179 . . . . 0.0 109.793 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.13 -13.48 9.61 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 114.83 -1.077 . . . . 0.0 114.562 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 C--N 1.315 -0.919 0 CA-C-N 117.451 0.625 . . . . 0.0 110.102 -178.65 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? . . . . . 0 N--CA 1.429 -1.477 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 60.5 m -94.12 120.5 34.45 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.885 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.305 -1.343 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.336 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 . . . . . 0 C--O 1.249 1.06 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 . . . . . 0 C--O 1.243 0.747 0 CA-C-O 122.532 1.158 . . . . 0.0 110.029 -179.227 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.654 0 N-CA-C 113.649 0.219 . . . . 0.0 113.649 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.316 -0.88 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 . . . . . 0 N--CA 1.434 -1.259 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 62.0 m -104.33 121.91 44.35 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 C--N 1.308 -1.234 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.608 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 . . . . . 0 N--CA 1.437 -1.096 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 52.27 57.4 6.5 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.763 1.225 . . . . 0.0 110.232 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.71 -24.19 6.04 Favored Glycine 0 N--CA 1.414 -2.783 0 CA-C-N 114.927 -1.033 . . . . 0.0 114.106 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 117.682 0.741 . . . . 0.0 109.657 -178.536 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 31.7 tpt180 . . . . . 0 N--CA 1.431 -1.389 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.84 122.3 42.6 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.3 -1.579 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.719 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 . . . . . 0 N--CA 1.44 -0.963 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 . . . . . 0 CA--C 1.542 0.661 0 CA-C-O 122.225 1.012 . . . . 0.0 109.9 178.038 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.086 0 N-CA-C 113.799 0.28 . . . . 0.0 113.799 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 N--CA 1.432 -1.346 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.874 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 . . . . . 0 N--CA 1.432 -1.359 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.8 m -99.85 114.89 28.4 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.326 0.584 . . . . 0.0 110.987 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.301 -1.518 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.059 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 . . . . . 0 N--CA 1.44 -0.935 0 CA-C-O 120.93 0.395 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 58.46 43.83 18.98 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 125.076 1.35 . . . . 0.0 109.89 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.19 -13.86 36.76 Favored Glycine 0 N--CA 1.419 -2.437 0 CA-C-N 114.955 -1.02 . . . . 0.0 113.242 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.525 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.502 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 33.2 mmt180 . . . . . 0 N--CA 1.432 -1.368 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.0 m -96.11 108.39 20.82 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 174.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.9 t . . . . . 0 C--N 1.279 -2.499 0 CA-C-N 114.618 -1.173 . . . . 0.0 108.589 -176.155 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 . . . . . 0 N--CA 1.429 -1.521 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 71.3 ttt180 . . . . . 0 CA--C 1.551 0.987 0 CA-C-O 123.155 1.455 . . . . 0.0 110.217 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.311 0 CA-C-O 120.136 -0.258 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.442 -0.853 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -178.5 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 . . . . . 0 N--CA 1.444 -0.743 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 84.6 m -105.36 117.11 33.17 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.038 0.447 . . . . 0.0 110.314 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.298 -1.636 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.7 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 . . . . . 0 CA--C 1.497 -1.086 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 60.63 36.73 19.6 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 122.96 1.362 . . . . 0.0 109.795 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.31 4.36 63.96 Favored Glycine 0 N--CA 1.433 -1.562 0 CA-C-N 113.959 -1.473 . . . . 0.0 114.617 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.8 t . . . . . 0 C--N 1.317 -0.812 0 CA-C-N 117.249 0.525 . . . . 0.0 109.89 -179.473 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 ttp180 . . . . . 0 N--CA 1.442 -0.868 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.6 m -106.29 119.81 40.21 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.301 -1.542 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -178.202 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 N--CA 1.439 -0.982 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 124.548 1.139 . . . . 0.0 111.164 -177.129 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.247 0 N-CA-C 114.063 0.385 . . . . 0.0 114.063 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.2 t . . . . . 0 C--N 1.32 -0.707 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.352 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.1 m -105.75 118.35 36.36 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.132 0.492 . . . . 0.0 110.665 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 C--N 1.302 -1.494 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.476 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 . . . . . 0 N--CA 1.434 -1.226 0 CA-C-O 121.447 0.641 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 55.85 43.98 26.69 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.63 1.172 . . . . 0.0 111.545 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.64 -21.22 47.28 Favored Glycine 0 N--CA 1.419 -2.45 0 CA-C-N 115.223 -0.899 . . . . 0.0 113.88 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--N 1.315 -0.926 0 CA-C-N 117.387 0.593 . . . . 0.0 110.179 -178.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 . . . . . 0 N--CA 1.434 -1.251 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.6 m -106.37 126.43 52.23 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 121.118 0.485 . . . . 0.0 111.367 -176.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.299 -1.611 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 175.886 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 . . . . . 0 N--CA 1.423 -1.785 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 . . . . . 0 C--N 1.322 -0.606 0 C-N-CA 124.767 1.227 . . . . 0.0 111.08 177.308 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.415 -2.766 0 N-CA-C 114.331 0.493 . . . . 0.0 114.331 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.9 t . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 118.059 0.929 . . . . 0.0 110.722 179.734 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 . . . . . 0 N--CA 1.432 -1.337 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.8 m -105.56 121.59 44.28 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.728 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.31 -1.123 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.243 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 . . . . . 0 N--CA 1.432 -1.329 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 57.62 45.53 19.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.443 1.116 . . . . 0.0 109.859 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.13 -4.77 53.34 Favored Glycine 0 N--CA 1.431 -1.676 0 CA-C-N 114.216 -1.357 . . . . 0.0 114.56 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 117.639 0.719 . . . . 0.0 109.496 -179.272 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 . . . . . 0 N--CA 1.437 -1.119 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.7 m -100.42 119.77 38.96 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.479 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--N 1.294 -1.819 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 . . . . . 0 N--CA 1.437 -1.094 0 CA-C-O 120.695 0.283 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 . . . . . 0 C--N 1.315 -0.898 0 C-N-CA 125.079 1.351 . . . . 0.0 110.926 175.149 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.565 0 N-CA-C 113.256 0.062 . . . . 0.0 113.256 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--N 1.308 -1.224 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.36 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 . . . . . 0 N--CA 1.438 -1.049 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.3 m -96.61 117.35 30.79 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.564 0.697 . . . . 0.0 110.806 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.294 -1.823 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.33 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 . . . . . 0 N--CA 1.431 -1.381 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 53.84 45.6 27.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.859 1.264 . . . . 0.0 111.695 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.46 -22.71 39.33 Favored Glycine 0 N--CA 1.418 -2.564 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.99 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.5 t . . . . . 0 N--CA 1.429 -1.518 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 . . . . . 0 N--CA 1.426 -1.653 0 CA-C-O 120.771 0.319 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.5 m -95.21 115.06 26.93 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-O 121.952 0.882 . . . . 0.0 109.795 176.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.293 -1.877 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -179.789 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 . . . . . 0 N--CA 1.431 -1.378 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 . . . . . 0 CA--C 1.545 0.785 0 CA-C-O 122.306 1.05 . . . . 0.0 111.152 174.812 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.209 0 N-CA-C 113.532 0.173 . . . . 0.0 113.532 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.2 t . . . . . 0 C--N 1.313 -1.004 0 CA-C-O 121.091 0.472 . . . . 0.0 110.487 -175.612 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 . . . . . 0 N--CA 1.434 -1.252 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.0 m -88.73 118.8 28.67 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.46 0.648 . . . . 0.0 110.186 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.314 -0.941 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.608 -172.885 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 N--CA 1.428 -1.551 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 63.65 36.61 10.74 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.45 1.119 . . . . 0.0 108.602 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 -2.35 62.78 Favored Glycine 0 N--CA 1.431 -1.657 0 CA-C-N 114.497 -1.228 . . . . 0.0 113.553 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.8 t . . . . . 0 C--N 1.317 -0.828 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -177.456 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? . . . . . 0 N--CA 1.429 -1.487 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.0 m -96.93 127.34 42.81 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.018 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.31 -1.127 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.224 -176.171 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 . . . . . 0 N--CA 1.426 -1.628 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 . . . . . 0 CA--C 1.545 0.765 0 CA-C-O 122.164 0.983 . . . . 0.0 110.352 175.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.853 0 N-CA-C 114.621 0.608 . . . . 0.0 114.621 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 C--N 1.311 -1.09 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.108 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 . . . . . 0 N--CA 1.434 -1.262 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -102.21 116.48 32.75 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.528 0.68 . . . . 0.0 110.705 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.289 -2.052 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.75 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 . . . . . 0 N--CA 1.434 -1.263 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 55.41 51.7 12.49 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-O 122.101 0.953 . . . . 0.0 111.025 176.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.91 -21.95 27.87 Favored Glycine 0 N--CA 1.42 -2.37 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.342 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 N--CA 1.444 -0.769 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 -179.537 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 . . . . . 0 N--CA 1.43 -1.43 0 CA-C-O 121.165 0.507 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.4 m -100.11 119.69 38.7 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.834 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.299 -1.596 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 178.876 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 . . . . . 0 N--CA 1.438 -1.07 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 122.09 0.947 . . . . 0.0 109.589 -178.232 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.808 0 CA-C-O 120.123 -0.265 . . . . 0.0 113.421 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 N--CA 1.442 -0.839 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.7 m -99.24 117.76 34.43 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 121.537 0.684 . . . . 0.0 110.96 -176.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.302 -1.474 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.202 -176.864 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 N--CA 1.43 -1.446 0 CA-C-O 120.906 0.384 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 61.36 40.04 14.61 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 122.586 1.184 . . . . 0.0 109.414 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.12 -17.54 41.6 Favored Glycine 0 N--CA 1.423 -2.181 0 CA-C-N 114.088 -1.415 . . . . 0.0 113.45 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.314 -0.95 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -176.762 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 . . . . . 0 CA--C 1.499 -1.001 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 37.3 m -102.15 117.37 34.63 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.329 0.585 . . . . 0.0 110.097 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.297 -1.689 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -177.214 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 . . . . . 0 N--CA 1.434 -1.23 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 . . . . . 0 CA--C 1.548 0.895 0 CA-C-O 123.056 1.407 . . . . 0.0 110.027 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.698 0 N-CA-C 114.49 0.556 . . . . 0.0 114.49 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.9 t . . . . . 0 C--N 1.31 -1.146 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -177.672 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 . . . . . 0 N--CA 1.428 -1.559 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 63.9 m -103.14 124.84 49.34 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.157 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.8 t . . . . . 0 C--N 1.304 -1.383 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -178.521 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 . . . . . 0 N--CA 1.421 -1.913 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 56.23 48.67 16.83 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 124.892 1.277 . . . . 0.0 110.928 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.67 0.21 79.36 Favored Glycine 0 N--CA 1.422 -2.259 0 CA-C-N 115.377 -0.829 . . . . 0.0 114.073 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 N--CA 1.444 -0.752 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.037 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 4.4 ptp180 . . . . . 0 N--CA 1.439 -0.988 0 CA-C-O 120.97 0.414 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.3 m -108.62 121.79 45.75 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.916 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 C--N 1.299 -1.603 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -179.105 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 . . . . . 0 N--CA 1.421 -1.894 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 . . . . . 0 CA--C 1.545 0.776 0 CA-C-O 122.387 1.089 . . . . 0.0 110.725 177.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.276 0 CA-C-O 120.249 -0.195 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.7 t . . . . . 0 N--CA 1.439 -0.997 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.802 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 . . . . . 0 N--CA 1.432 -1.347 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.0 m -99.27 124.99 44.8 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.936 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.294 -1.836 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.736 177.786 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 . . . . . 0 N--CA 1.433 -1.31 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 55.38 48.22 19.56 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.238 1.015 . . . . 0.0 109.955 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.04 -20.68 14.65 Favored Glycine 0 N--CA 1.424 -2.124 0 CA-C-N 114.911 -1.04 . . . . 0.0 114.068 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.0 t . . . . . 0 C--N 1.317 -0.804 0 CA-C-N 117.543 0.671 . . . . 0.0 109.84 -177.023 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 . . . . . 0 N--CA 1.428 -1.547 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.6 m -107.35 110.16 22.09 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 175.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.1 t . . . . . 0 C--N 1.289 -2.035 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.214 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 . . . . . 0 N--CA 1.439 -1.0 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 . . . . . 0 C--N 1.322 -0.614 0 CA-C-O 122.7 1.238 . . . . 0.0 109.392 -179.186 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.507 0 N-CA-C 113.37 0.108 . . . . 0.0 113.37 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.1 t . . . . . 0 C--N 1.315 -0.917 0 CA-C-O 121.317 0.58 . . . . 0.0 109.724 179.082 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 . . . . . 0 N--CA 1.436 -1.153 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.2 m -115.97 122.78 46.28 Favored 'General case' 0 N--CA 1.426 -1.67 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.293 -1.863 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.859 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 . . . . . 0 N--CA 1.436 -1.127 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 62.77 35.91 13.54 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 122.402 1.096 . . . . 0.0 109.427 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.42 6.67 84.38 Favored Glycine 0 N--CA 1.428 -1.842 0 CA-C-N 114.052 -1.431 . . . . 0.0 113.757 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--N 1.312 -1.035 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.159 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 . . . . . 0 N--CA 1.449 -0.524 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -121.57 135.07 55.02 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.315 -0.903 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.651 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 . . . . . 0 C--O 1.243 0.726 0 CA-C-O 121.088 0.471 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 . . . . . 0 CA--C 1.542 0.642 0 C-N-CA 125.223 1.409 . . . . 0.0 111.65 175.594 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.278 0 N-CA-C 114.143 0.417 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.2 t . . . . . 0 C--N 1.311 -1.067 0 CA-C-N 117.713 0.756 . . . . 0.0 109.39 -179.745 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 . . . . . 0 N--CA 1.43 -1.43 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 65.8 m -101.24 124.41 46.89 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.146 0.498 . . . . 0.0 111.275 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.304 -1.411 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 178.07 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 . . . . . 0 N--CA 1.429 -1.483 0 CA-C-O 120.622 0.249 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 55.28 48.4 19.37 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 124.932 1.293 . . . . 0.0 111.524 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.69 8.23 81.23 Favored Glycine 0 N--CA 1.419 -2.437 0 CA-C-N 114.837 -1.074 . . . . 0.0 113.596 177.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t . . . . . 0 N--CA 1.438 -1.061 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 178.253 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 . . . . . 0 N--CA 1.443 -0.821 0 CA-C-O 120.936 0.398 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.8 m -100.87 118.45 36.94 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.457 0.646 . . . . 0.0 110.673 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.302 -1.495 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -177.911 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 . . . . . 0 CA--C 1.508 -0.64 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 122.681 1.229 . . . . 0.0 108.23 -175.762 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.517 0 N-CA-C 113.756 0.262 . . . . 0.0 113.756 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--N 1.308 -1.207 0 CA-C-N 117.722 0.761 . . . . 0.0 110.426 -179.413 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.446 ' NH1' ' HD2' ' A' ' 17' ' ' ARG . 9.2 ptp180 . . . . . 0 N--CA 1.436 -1.169 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 58.6 m -130.14 128.36 41.64 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-O 121.085 0.469 . . . . 0.0 110.121 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.3 -1.587 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.2 ttm-85 . . . . . 0 N--CA 1.431 -1.407 0 CA-C-O 120.778 0.323 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 55.27 51.75 12.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.386 1.074 . . . . 0.0 110.809 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.89 -4.92 67.66 Favored Glycine 0 N--CA 1.422 -2.287 0 CA-C-N 115.214 -0.903 . . . . 0.0 114.428 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 N--CA 1.438 -1.069 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 . . . . . 0 N--CA 1.439 -0.985 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.9 m -95.29 128.71 42.35 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.304 -1.389 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.607 -176.207 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' HD2' ' NH1' ' A' ' 4' ' ' ARG . 18.5 ttm180 . . . . . 0 CA--C 1.507 -0.692 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 . . . . . 0 CA--C 1.539 0.538 0 CA-C-O 122.9 1.333 . . . . 0.0 109.292 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.213 0 N-CA-C 114.373 0.509 . . . . 0.0 114.373 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.0 t . . . . . 0 C--N 1.314 -0.944 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.787 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 . . . . . 0 N--CA 1.439 -1.024 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.5 m -90.96 114.18 26.61 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 121.689 0.757 . . . . 0.0 109.465 174.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.285 -2.222 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 -177.279 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 . . . . . 0 N--CA 1.428 -1.556 0 CA-C-O 121.356 0.598 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 53.9 46.48 25.58 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.057 1.343 . . . . 0.0 111.555 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.96 -12.29 69.49 Favored Glycine 0 N--CA 1.423 -2.212 0 CA-C-N 115.065 -0.971 . . . . 0.0 114.093 177.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.0 t . . . . . 0 C--N 1.314 -0.967 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.503 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 . . . . . 0 N--CA 1.444 -0.755 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.7 m -99.17 115.96 30.27 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.201 0.525 . . . . 0.0 109.996 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 t . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 . . . . . 0 N--CA 1.435 -1.223 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 124.911 1.284 . . . . 0.0 111.11 -179.096 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.31 0 N-CA-C 113.825 0.29 . . . . 0.0 113.825 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--N 1.315 -0.92 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.777 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 . . . . . 0 N--CA 1.438 -1.028 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.3 m -103.81 123.95 48.02 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.047 0.451 . . . . 0.0 111.732 -171.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 C--O 1.249 1.049 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.819 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 . . . . . 0 N--CA 1.432 -1.373 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? 61.73 40.58 12.91 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.342 1.068 . . . . 0.0 109.292 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.9 1.43 32.34 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-N 114.965 -1.016 . . . . 0.0 113.902 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 N--CA 1.431 -1.38 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.566 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 N--CA 1.438 -1.036 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.8 m -120.28 126.68 51.18 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.307 -1.269 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.023 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 . . . . . 0 N--CA 1.427 -1.6 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 124.862 1.265 . . . . 0.0 110.796 -179.039 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.507 0 N-CA-C 114.103 0.401 . . . . 0.0 114.103 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.309 -1.168 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.817 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 . . . . . 0 N--CA 1.438 -1.066 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.7 m -104.85 119.93 40.2 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 120.98 0.419 . . . . 0.0 110.236 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.42 -1.963 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.394 179.856 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 . . . . . 0 N--CA 1.425 -1.69 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 63.23 34.81 13.08 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 122.307 1.051 . . . . 0.0 110.547 177.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.35 -9.5 77.3 Favored Glycine 0 N--CA 1.426 -2.014 0 CA-C-N 114.908 -1.042 . . . . 0.0 113.575 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 C--N 1.311 -1.072 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.608 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 ttm-85 . . . . . 0 N--CA 1.439 -0.989 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.6 m -121.31 118.85 30.55 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.034 0.445 . . . . 0.0 111.418 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.302 -1.477 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.084 177.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 . . . . . 0 N--CA 1.44 -0.967 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 122.324 1.059 . . . . 0.0 109.591 179.719 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.403 0 CA-C-O 120.37 -0.128 . . . . 0.0 113.216 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t -87.2 104.69 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.007 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -117.26 125.87 51.82 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.721 -177.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 62.8 m -98.41 115.34 28.28 Favored 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.1 t -113.57 134.44 56.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 4.0 mmp_? -112.74 98.55 7.28 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 53.13 51.07 16.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.173 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.6 -28.47 7.62 Favored Glycine 0 N--CA 1.419 -2.486 0 CA-C-N 115.182 -0.917 . . . . 0.0 114.108 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.9 t -85.3 129.5 37.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 117.712 0.756 . . . . 0.0 110.362 -176.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -104.39 110.59 22.9 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.641 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.2 m -98.04 115.44 28.23 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 t -128.82 137.52 57.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -177.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -116.34 102.15 9.29 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 . . . . . 0 CA--C 1.542 0.645 0 CA-C-O 122.571 1.177 . . . . 0.0 110.683 -179.529 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.41 -3.072 0 CA-C-O 120.123 -0.265 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.0 106.92 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-O 121.158 0.504 . . . . 0.0 110.29 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -88.96 118.33 28.61 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 64.5 m -103.47 117.5 34.6 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.321 0.581 . . . . 0.0 110.501 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.7 t -111.33 133.0 58.34 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -92.99 111.58 23.26 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 58.6 41.05 22.89 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.358 1.075 . . . . 0.0 109.545 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.18 -14.59 14.55 Favored Glycine 0 N--CA 1.435 -1.415 0 CA-C-N 114.961 -1.018 . . . . 0.0 114.106 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -80.33 122.0 34.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -99.68 109.71 22.16 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 177.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -100.26 121.28 41.22 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.072 0.463 . . . . 0.0 110.152 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.2 t -112.09 127.72 69.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -91.05 98.69 11.92 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.551 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 . . . . . 0 C--O 1.238 0.49 0 C-N-CA 124.392 1.077 . . . . 0.0 109.801 179.296 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.665 0 N-CA-C 113.93 0.332 . . . . 0.0 113.93 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.8 t -77.91 109.61 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 117.277 0.538 . . . . 0.0 110.252 -175.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.466 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 36.4 mmt180 -90.21 106.37 18.44 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.293 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 81.0 m -96.31 109.01 21.59 Favored 'General case' 0 C--N 1.29 -2.022 0 CA-C-O 121.366 0.603 . . . . 0.0 109.832 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t -101.46 128.78 53.48 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.265 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -86.76 98.0 10.92 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 51.22 57.68 6.36 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.647 1.179 . . . . 0.0 109.793 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.13 -13.48 9.61 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 114.83 -1.077 . . . . 0.0 114.562 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -92.99 116.24 33.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 117.451 0.625 . . . . 0.0 110.102 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -119.23 105.62 11.53 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 174.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 60.5 m -94.12 120.5 34.45 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.885 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.44 120.14 62.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -101.7 105.8 16.75 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.247 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 . . . . . 0 C--O 1.243 0.747 0 CA-C-O 122.532 1.158 . . . . 0.0 110.029 -179.227 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.654 0 N-CA-C 113.649 0.219 . . . . 0.0 113.649 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t -97.74 118.5 44.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -111.03 117.21 32.69 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.082 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 62.0 m -104.33 121.91 44.35 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t -119.45 135.32 60.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -103.48 99.28 9.1 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.393 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 52.27 57.4 6.5 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.763 1.225 . . . . 0.0 110.232 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.71 -24.19 6.04 Favored Glycine 0 N--CA 1.414 -2.783 0 CA-C-N 114.927 -1.033 . . . . 0.0 114.106 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.6 t -85.51 103.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 117.682 0.741 . . . . 0.0 109.657 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 31.7 tpt180 -90.82 118.51 30.29 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.219 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.84 122.3 42.6 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.5 p -132.33 145.2 34.99 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -128.3 104.98 8.03 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.63 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 . . . . . 0 CA--C 1.542 0.661 0 CA-C-O 122.225 1.012 . . . . 0.0 109.9 178.038 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.086 0 N-CA-C 113.799 0.28 . . . . 0.0 113.799 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.64 110.33 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.346 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -115.56 123.55 48.77 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.8 m -99.85 114.89 28.4 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.326 0.584 . . . . 0.0 110.987 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t -111.27 130.4 64.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -126.32 110.38 13.32 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.946 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 58.46 43.83 18.98 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 125.076 1.35 . . . . 0.0 109.89 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.19 -13.86 36.76 Favored Glycine 0 N--CA 1.419 -2.437 0 CA-C-N 114.955 -1.02 . . . . 0.0 113.242 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.4 t -85.33 111.94 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.502 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 33.2 mmt180 -98.16 105.32 17.44 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.0 m -96.11 108.39 20.82 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 174.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.9 t -102.56 123.48 55.9 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.499 0 CA-C-N 114.618 -1.173 . . . . 0.0 108.589 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -121.08 112.33 18.57 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 71.3 ttt180 . . . . . 0 CA--C 1.551 0.987 0 CA-C-O 123.155 1.455 . . . . 0.0 110.217 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.311 0 CA-C-O 120.136 -0.258 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.4 t -82.11 104.28 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.426 ' CG ' ' HB3' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -102.93 116.4 32.46 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.124 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 84.6 m -105.36 117.11 33.17 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.038 0.447 . . . . 0.0 110.314 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.4 t -118.15 133.78 63.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . 0.477 ' HA ' ' O ' ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -131.21 133.31 45.36 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.71 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 60.63 36.73 19.6 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 122.96 1.362 . . . . 0.0 109.795 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.31 4.36 63.96 Favored Glycine 0 N--CA 1.433 -1.562 0 CA-C-N 113.959 -1.473 . . . . 0.0 114.617 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 7' ' ' ABA . 56.8 t -103.04 118.13 49.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 117.249 0.525 . . . . 0.0 109.89 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 ttp180 -92.99 122.4 35.31 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.198 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' HB3' ' CG ' ' A' ' 3' ' ' ABA . 75.6 m -106.29 119.81 40.21 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 t -114.7 130.21 69.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -178.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -111.01 97.16 6.61 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 124.548 1.139 . . . . 0.0 111.164 -177.129 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.247 0 N-CA-C 114.063 0.385 . . . . 0.0 114.063 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.2 t -90.05 108.67 19.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -127.78 123.8 36.14 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.1 m -105.75 118.35 36.36 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.132 0.492 . . . . 0.0 110.665 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t -103.89 123.74 57.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -103.09 103.33 13.4 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.282 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 55.85 43.98 26.69 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.63 1.172 . . . . 0.0 111.545 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.64 -21.22 47.28 Favored Glycine 0 N--CA 1.419 -2.45 0 CA-C-N 115.223 -0.899 . . . . 0.0 113.88 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.6 t -94.89 113.67 29.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 117.387 0.593 . . . . 0.0 110.179 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -102.4 126.32 49.4 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.6 m -106.37 126.43 52.23 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 121.118 0.485 . . . . 0.0 111.367 -176.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.4 t -102.04 128.81 54.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -127.33 110.37 12.74 Favored 'General case' 0 N--CA 1.423 -1.785 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.926 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 . . . . . 0 C--N 1.322 -0.606 0 C-N-CA 124.767 1.227 . . . . 0.0 111.08 177.308 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.415 -2.766 0 N-CA-C 114.331 0.493 . . . . 0.0 114.331 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.9 t -100.07 109.11 24.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 118.059 0.929 . . . . 0.0 110.722 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -135.18 124.44 24.6 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.8 m -105.56 121.59 44.28 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.728 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.59 137.1 58.24 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -115.63 110.88 19.81 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 57.62 45.53 19.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.443 1.116 . . . . 0.0 109.859 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.13 -4.77 53.34 Favored Glycine 0 N--CA 1.431 -1.676 0 CA-C-N 114.216 -1.357 . . . . 0.0 114.56 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -102.81 123.13 55.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 117.639 0.719 . . . . 0.0 109.496 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -98.97 118.07 34.92 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.798 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.7 m -100.42 119.77 38.96 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.479 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.8 t -109.0 132.89 55.8 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -121.43 106.28 11.28 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.515 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 . . . . . 0 C--N 1.315 -0.898 0 C-N-CA 125.079 1.351 . . . . 0.0 110.926 175.149 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.565 0 N-CA-C 113.256 0.062 . . . . 0.0 113.256 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t -89.68 105.01 15.64 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -108.53 113.6 26.76 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.3 m -96.61 117.35 30.79 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.564 0.697 . . . . 0.0 110.806 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.76 127.27 70.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -103.39 98.07 8.03 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.6 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 53.84 45.6 27.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.859 1.264 . . . . 0.0 111.695 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.46 -22.71 39.33 Favored Glycine 0 N--CA 1.418 -2.564 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.99 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.5 t -86.97 102.99 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.518 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -102.92 119.32 38.63 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.246 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.5 m -95.21 115.06 26.93 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-O 121.952 0.882 . . . . 0.0 109.795 176.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.2 116.55 48.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -112.46 100.23 8.6 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.932 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 . . . . . 0 CA--C 1.545 0.785 0 CA-C-O 122.306 1.05 . . . . 0.0 111.152 174.812 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.209 0 N-CA-C 113.532 0.173 . . . . 0.0 113.532 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.2 t -92.37 116.44 33.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-O 121.091 0.472 . . . . 0.0 110.487 -175.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -124.22 135.5 53.48 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.0 m -88.73 118.8 28.67 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.46 0.648 . . . . 0.0 110.186 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.1 t -130.69 153.11 38.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.608 -172.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -96.97 111.77 23.83 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.803 -173.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 63.65 36.61 10.74 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.45 1.119 . . . . 0.0 108.602 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 -2.35 62.78 Favored Glycine 0 N--CA 1.431 -1.657 0 CA-C-N 114.497 -1.228 . . . . 0.0 113.553 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.8 t -108.33 130.13 61.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -135.94 145.74 46.55 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.0 m -96.93 127.34 42.81 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.018 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.65 141.52 27.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.224 -176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -105.29 101.32 10.87 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.402 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 . . . . . 0 CA--C 1.545 0.765 0 CA-C-O 122.164 0.983 . . . . 0.0 110.352 175.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.853 0 N-CA-C 114.621 0.608 . . . . 0.0 114.621 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.4 t -96.03 115.56 35.58 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -87.78 112.0 21.97 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -102.21 116.48 32.75 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.528 0.68 . . . . 0.0 110.705 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.3 t -109.16 119.98 59.66 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -110.82 99.33 8.27 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.794 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 55.41 51.7 12.49 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-O 122.101 0.953 . . . . 0.0 111.025 176.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.91 -21.95 27.87 Favored Glycine 0 N--CA 1.42 -2.37 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.342 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.3 t -83.13 103.13 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -81.41 106.22 13.2 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.787 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.4 m -100.11 119.69 38.7 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.834 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.01 128.69 69.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -121.03 109.82 15.51 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 122.09 0.947 . . . . 0.0 109.589 -178.232 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.808 0 CA-C-O 120.123 -0.265 . . . . 0.0 113.421 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.2 t -84.47 109.12 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -122.86 134.01 54.4 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.7 m -99.24 117.76 34.43 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 121.537 0.684 . . . . 0.0 110.96 -176.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.9 t -113.8 134.77 55.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.202 -176.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -99.41 107.46 19.7 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.317 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 61.36 40.04 14.61 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 122.586 1.184 . . . . 0.0 109.414 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.12 -17.54 41.6 Favored Glycine 0 N--CA 1.423 -2.181 0 CA-C-N 114.088 -1.415 . . . . 0.0 113.45 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.4 t -91.03 110.91 22.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -176.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -121.85 140.31 52.55 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 37.3 m -102.15 117.37 34.63 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.329 0.585 . . . . 0.0 110.097 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -101.53 138.34 26.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -177.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -127.31 101.99 6.72 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 . . . . . 0 CA--C 1.548 0.895 0 CA-C-O 123.056 1.407 . . . . 0.0 110.027 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.698 0 N-CA-C 114.49 0.556 . . . . 0.0 114.49 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.9 t -102.41 125.09 56.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -101.87 111.11 23.26 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -177.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 63.9 m -103.14 124.84 49.34 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.157 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.8 t -120.65 137.56 54.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -131.33 114.26 14.78 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 56.23 48.67 16.83 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 124.892 1.277 . . . . 0.0 110.928 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.67 0.21 79.36 Favored Glycine 0 N--CA 1.422 -2.259 0 CA-C-N 115.377 -0.829 . . . . 0.0 114.073 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -103.54 106.9 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 4.4 ptp180 -103.97 130.41 51.6 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.303 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.3 m -108.62 121.79 45.75 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.916 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.54 141.61 43.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -118.64 100.85 7.69 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -177.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 . . . . . 0 CA--C 1.545 0.776 0 CA-C-O 122.387 1.089 . . . . 0.0 110.725 177.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.276 0 CA-C-O 120.249 -0.195 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.7 t -86.36 108.76 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -112.88 118.53 35.15 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.956 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.0 m -99.27 124.99 44.8 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.936 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 p -137.44 133.98 46.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.736 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -94.97 107.87 19.91 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.322 -175.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 55.38 48.22 19.56 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.238 1.015 . . . . 0.0 109.955 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.04 -20.68 14.65 Favored Glycine 0 N--CA 1.424 -2.124 0 CA-C-N 114.911 -1.04 . . . . 0.0 114.068 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.15 120.06 42.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 117.543 0.671 . . . . 0.0 109.84 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -108.24 117.14 33.38 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.484 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.6 m -107.35 110.16 22.09 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 175.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.1 t -102.14 126.88 56.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -135.04 122.21 21.48 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.001 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 . . . . . 0 C--N 1.322 -0.614 0 CA-C-O 122.7 1.238 . . . . 0.0 109.392 -179.186 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.507 0 N-CA-C 113.37 0.108 . . . . 0.0 113.37 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.1 t -89.24 103.29 13.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-O 121.317 0.58 . . . . 0.0 109.724 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -129.28 137.57 51.13 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.2 m -115.97 122.78 46.28 Favored 'General case' 0 N--CA 1.426 -1.67 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.3 t -111.07 125.91 68.43 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -129.05 121.93 28.91 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -175.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 62.77 35.91 13.54 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 122.402 1.096 . . . . 0.0 109.427 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.42 6.67 84.38 Favored Glycine 0 N--CA 1.428 -1.842 0 CA-C-N 114.052 -1.431 . . . . 0.0 113.757 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t -107.59 115.83 49.71 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -128.33 136.72 51.35 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -121.57 135.07 55.02 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.3 t -121.58 139.19 49.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -104.82 97.98 7.78 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 121.088 0.471 . . . . 0.0 111.224 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 . . . . . 0 CA--C 1.542 0.642 0 C-N-CA 125.223 1.409 . . . . 0.0 111.65 175.594 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.278 0 N-CA-C 114.143 0.417 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.2 t -90.61 113.15 26.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 117.713 0.756 . . . . 0.0 109.39 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -106.65 130.17 54.43 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 65.8 m -101.24 124.41 46.89 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.146 0.498 . . . . 0.0 111.275 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.5 t -102.26 127.1 56.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -134.69 121.02 20.22 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.775 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 55.28 48.4 19.37 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 124.932 1.293 . . . . 0.0 111.524 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.69 8.23 81.23 Favored Glycine 0 N--CA 1.419 -2.437 0 CA-C-N 114.837 -1.074 . . . . 0.0 113.596 177.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t -114.94 118.09 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -126.1 125.17 42.12 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.566 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.8 m -100.87 118.45 36.94 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.457 0.646 . . . . 0.0 110.673 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 t -112.84 135.45 52.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -89.31 110.14 20.95 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 122.681 1.229 . . . . 0.0 108.23 -175.762 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.517 0 N-CA-C 113.756 0.262 . . . . 0.0 113.756 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.1 t -104.61 118.39 51.82 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 CA-C-N 117.722 0.761 . . . . 0.0 110.426 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.446 ' NH1' ' HD2' ' A' ' 17' ' ' ARG . 9.2 ptp180 -116.75 164.87 13.99 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 58.6 m -130.14 128.36 41.64 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-O 121.085 0.469 . . . . 0.0 110.121 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.3 t -104.1 125.42 58.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.587 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.2 ttm-85 -103.36 101.22 11.13 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.214 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 55.27 51.75 12.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.386 1.074 . . . . 0.0 110.809 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.89 -4.92 67.66 Favored Glycine 0 N--CA 1.422 -2.287 0 CA-C-N 115.214 -0.903 . . . . 0.0 114.428 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -103.05 105.39 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -100.68 119.91 39.29 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.796 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.9 m -95.29 128.71 42.35 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.59 145.42 26.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.607 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' HD2' ' NH1' ' A' ' 4' ' ' ARG . 18.5 ttm180 -112.78 118.43 34.95 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 . . . . . 0 CA--C 1.539 0.538 0 CA-C-O 122.9 1.333 . . . . 0.0 109.292 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.213 0 N-CA-C 114.373 0.509 . . . . 0.0 114.373 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.0 t -92.43 113.14 27.06 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.491 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -104.74 115.58 30.56 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.5 m -90.96 114.18 26.61 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 121.689 0.757 . . . . 0.0 109.465 174.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 t -101.59 111.41 31.21 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.222 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -133.64 108.86 8.81 Favored 'General case' 0 C--N 1.294 -1.804 0 CA-C-O 121.356 0.598 . . . . 0.0 112.034 -177.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 53.9 46.48 25.58 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.057 1.343 . . . . 0.0 111.555 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.96 -12.29 69.49 Favored Glycine 0 N--CA 1.423 -2.212 0 CA-C-N 115.065 -0.971 . . . . 0.0 114.093 177.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.0 t -102.78 119.9 51.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -104.65 109.55 21.51 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.7 m -99.17 115.96 30.27 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.201 0.525 . . . . 0.0 109.996 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 19.7 t -102.21 128.85 54.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -116.91 110.4 18.27 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 124.911 1.284 . . . . 0.0 111.11 -179.096 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.31 0 N-CA-C 113.825 0.29 . . . . 0.0 113.825 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.9 t -106.51 115.7 48.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.402 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -108.57 125.66 52.08 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 175.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.3 m -103.81 123.95 48.02 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.047 0.451 . . . . 0.0 111.732 -171.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.0 t -131.65 141.06 46.69 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -105.46 119.32 38.8 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 114.291 -1.322 . . . . 0.0 108.642 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? 61.73 40.58 12.91 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.342 1.068 . . . . 0.0 109.292 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.9 1.43 32.34 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-N 114.965 -1.016 . . . . 0.0 113.902 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.0 t -104.43 112.8 39.46 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.38 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -114.01 156.07 24.74 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.556 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.8 m -120.28 126.68 51.18 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 5.6 p -102.35 130.82 51.63 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.269 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -112.09 105.12 13.41 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 124.862 1.265 . . . . 0.0 110.796 -179.039 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.507 0 N-CA-C 114.103 0.401 . . . . 0.0 114.103 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.6 t -93.54 115.66 32.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -95.39 114.26 26.01 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.7 m -104.85 119.93 40.2 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 120.98 0.419 . . . . 0.0 110.236 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 p -120.77 125.68 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.963 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.394 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ABA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -114.76 107.31 15.28 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.573 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 63.23 34.81 13.08 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 122.307 1.051 . . . . 0.0 110.547 177.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.35 -9.5 77.3 Favored Glycine 0 N--CA 1.426 -2.014 0 CA-C-N 114.908 -1.042 . . . . 0.0 113.575 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.79 106.98 18.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ABA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 ttm-85 -124.59 137.63 54.38 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.6 m -121.31 118.85 30.55 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.034 0.445 . . . . 0.0 111.418 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.9 p -105.65 128.6 59.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.084 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -134.79 120.23 19.14 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 122.324 1.059 . . . . 0.0 109.591 179.719 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.403 0 CA-C-O 120.37 -0.128 . . . . 0.0 113.216 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 N--CA 1.439 -1.007 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -178.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 N--CA 1.434 -1.254 0 CA-C-O 120.835 0.35 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.8 m -98.41 115.34 28.28 Favored 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.291 -1.955 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -178.211 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 4.0 mmp_? . . . . . 0 N--CA 1.435 -1.204 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 53.13 51.07 16.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.173 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.6 -28.47 7.62 Favored Glycine 0 N--CA 1.419 -2.486 0 CA-C-N 115.182 -0.917 . . . . 0.0 114.108 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 117.712 0.756 . . . . 0.0 110.362 -176.201 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 . . . . . 0 CA--C 1.507 -0.706 0 CA-C-O 120.576 0.226 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.2 m -98.04 115.44 28.23 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.301 -1.508 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -177.13 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 . . . . . 0 N--CA 1.435 -1.212 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 . . . . . 0 CA--C 1.542 0.645 0 CA-C-O 122.571 1.177 . . . . 0.0 110.683 -179.529 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.41 -3.072 0 CA-C-O 120.123 -0.265 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 N--CA 1.448 -0.571 0 CA-C-O 121.158 0.504 . . . . 0.0 110.29 -177.437 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 . . . . . 0 N--CA 1.44 -0.972 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 64.5 m -103.47 117.5 34.6 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.321 0.581 . . . . 0.0 110.501 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 C--N 1.296 -1.722 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.475 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 . . . . . 0 N--CA 1.433 -1.309 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 58.6 41.05 22.89 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.358 1.075 . . . . 0.0 109.545 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.18 -14.59 14.55 Favored Glycine 0 N--CA 1.435 -1.415 0 CA-C-N 114.961 -1.018 . . . . 0.0 114.106 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 C--N 1.321 -0.672 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -178.146 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 . . . . . 0 N--CA 1.425 -1.709 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -100.26 121.28 41.22 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.072 0.463 . . . . 0.0 110.152 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.2 t . . . . . 0 C--N 1.303 -1.44 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.669 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 . . . . . 0 N--CA 1.441 -0.876 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 . . . . . 0 C--O 1.238 0.49 0 C-N-CA 124.392 1.077 . . . . 0.0 109.801 179.296 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.665 0 N-CA-C 113.93 0.332 . . . . 0.0 113.93 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 117.277 0.538 . . . . 0.0 110.252 -175.91 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.459 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 36.4 mmt180 . . . . . 0 CA--C 1.494 -1.178 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 81.0 m -96.31 109.01 21.59 Favored 'General case' 0 C--N 1.29 -2.022 0 CA-C-O 121.366 0.603 . . . . 0.0 109.832 177.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 C--N 1.284 -2.265 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -178.195 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 . . . . . 0 N--CA 1.432 -1.359 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 51.22 57.68 6.36 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.647 1.179 . . . . 0.0 109.793 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.13 -13.48 9.61 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 114.83 -1.077 . . . . 0.0 114.562 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 C--N 1.315 -0.919 0 CA-C-N 117.451 0.625 . . . . 0.0 110.102 -178.65 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? . . . . . 0 N--CA 1.429 -1.477 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 60.5 m -94.12 120.5 34.45 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.885 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.305 -1.343 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.336 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 . . . . . 0 C--O 1.249 1.06 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 . . . . . 0 C--O 1.243 0.747 0 CA-C-O 122.532 1.158 . . . . 0.0 110.029 -179.227 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.654 0 N-CA-C 113.649 0.219 . . . . 0.0 113.649 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.316 -0.88 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 . . . . . 0 N--CA 1.434 -1.259 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 62.0 m -104.33 121.91 44.35 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 C--N 1.308 -1.234 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.608 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 . . . . . 0 N--CA 1.437 -1.096 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 52.27 57.4 6.5 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.763 1.225 . . . . 0.0 110.232 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.71 -24.19 6.04 Favored Glycine 0 N--CA 1.414 -2.783 0 CA-C-N 114.927 -1.033 . . . . 0.0 114.106 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 117.682 0.741 . . . . 0.0 109.657 -178.536 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 31.7 tpt180 . . . . . 0 N--CA 1.431 -1.389 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.84 122.3 42.6 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.3 -1.579 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.719 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 . . . . . 0 N--CA 1.44 -0.963 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 . . . . . 0 CA--C 1.542 0.661 0 CA-C-O 122.225 1.012 . . . . 0.0 109.9 178.038 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.086 0 N-CA-C 113.799 0.28 . . . . 0.0 113.799 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 N--CA 1.432 -1.346 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.874 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 . . . . . 0 N--CA 1.432 -1.359 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.8 m -99.85 114.89 28.4 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.326 0.584 . . . . 0.0 110.987 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.301 -1.518 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.059 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 . . . . . 0 N--CA 1.44 -0.935 0 CA-C-O 120.93 0.395 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . 26.6 tpt180 58.46 43.83 18.98 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 125.076 1.35 . . . . 0.0 109.89 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.19 -13.86 36.76 Favored Glycine 0 N--CA 1.419 -2.437 0 CA-C-N 114.955 -1.02 . . . . 0.0 113.242 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.525 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.508 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 33.2 mmt180 . . . . . 0 N--CA 1.432 -1.368 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.0 m -96.11 108.39 20.82 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 174.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.9 t . . . . . 0 C--N 1.279 -2.499 0 CA-C-N 114.618 -1.173 . . . . 0.0 108.589 -176.155 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 . . . . . 0 N--CA 1.429 -1.521 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 71.3 ttt180 . . . . . 0 CA--C 1.551 0.987 0 CA-C-O 123.155 1.455 . . . . 0.0 110.217 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.311 0 CA-C-O 120.136 -0.258 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.442 -0.853 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -178.5 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 . . . . . 0 N--CA 1.444 -0.743 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 84.6 m -105.36 117.11 33.17 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.038 0.447 . . . . 0.0 110.314 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.298 -1.636 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.7 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 . . . . . 0 CA--C 1.497 -1.086 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 60.63 36.73 19.6 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 122.96 1.362 . . . . 0.0 109.795 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.31 4.36 63.96 Favored Glycine 0 N--CA 1.433 -1.562 0 CA-C-N 113.959 -1.473 . . . . 0.0 114.617 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.8 t . . . . . 0 C--N 1.317 -0.812 0 CA-C-N 117.249 0.525 . . . . 0.0 109.89 -179.473 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 ttp180 . . . . . 0 N--CA 1.442 -0.868 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.6 m -106.29 119.81 40.21 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.301 -1.542 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -178.202 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 N--CA 1.439 -0.982 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 124.548 1.139 . . . . 0.0 111.164 -177.129 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.247 0 N-CA-C 114.063 0.385 . . . . 0.0 114.063 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.2 t . . . . . 0 C--N 1.32 -0.707 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.352 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 86.1 m -105.75 118.35 36.36 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.132 0.492 . . . . 0.0 110.665 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 C--N 1.302 -1.494 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.476 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 . . . . . 0 N--CA 1.434 -1.226 0 CA-C-O 121.447 0.641 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 55.85 43.98 26.69 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.63 1.172 . . . . 0.0 111.545 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.64 -21.22 47.28 Favored Glycine 0 N--CA 1.419 -2.45 0 CA-C-N 115.223 -0.899 . . . . 0.0 113.88 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--N 1.315 -0.926 0 CA-C-N 117.387 0.593 . . . . 0.0 110.179 -178.917 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 . . . . . 0 N--CA 1.434 -1.251 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.6 m -106.37 126.43 52.23 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 121.118 0.485 . . . . 0.0 111.367 -176.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.299 -1.611 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 175.886 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 . . . . . 0 N--CA 1.423 -1.785 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 . . . . . 0 C--N 1.322 -0.606 0 C-N-CA 124.767 1.227 . . . . 0.0 111.08 177.308 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.415 -2.766 0 N-CA-C 114.331 0.493 . . . . 0.0 114.331 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.9 t . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 118.059 0.929 . . . . 0.0 110.722 179.734 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 . . . . . 0 N--CA 1.432 -1.337 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.8 m -105.56 121.59 44.28 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.728 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.31 -1.123 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.243 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 . . . . . 0 N--CA 1.432 -1.329 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 57.62 45.53 19.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.443 1.116 . . . . 0.0 109.859 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.13 -4.77 53.34 Favored Glycine 0 N--CA 1.431 -1.676 0 CA-C-N 114.216 -1.357 . . . . 0.0 114.56 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 117.639 0.719 . . . . 0.0 109.496 -179.272 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 . . . . . 0 N--CA 1.437 -1.119 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 70.7 m -100.42 119.77 38.96 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.479 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--N 1.294 -1.819 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.965 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 . . . . . 0 N--CA 1.437 -1.094 0 CA-C-O 120.695 0.283 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 . . . . . 0 C--N 1.315 -0.898 0 C-N-CA 125.079 1.351 . . . . 0.0 110.926 175.149 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.565 0 N-CA-C 113.256 0.062 . . . . 0.0 113.256 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--N 1.308 -1.224 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.36 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 . . . . . 0 N--CA 1.438 -1.049 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 70.3 m -96.61 117.35 30.79 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.564 0.697 . . . . 0.0 110.806 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.294 -1.823 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.33 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 . . . . . 0 N--CA 1.431 -1.381 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 53.84 45.6 27.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.859 1.264 . . . . 0.0 111.695 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.46 -22.71 39.33 Favored Glycine 0 N--CA 1.418 -2.564 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.99 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.5 t . . . . . 0 N--CA 1.429 -1.518 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 . . . . . 0 N--CA 1.426 -1.653 0 CA-C-O 120.771 0.319 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.5 m -95.21 115.06 26.93 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-O 121.952 0.882 . . . . 0.0 109.795 176.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.293 -1.877 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -179.789 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 . . . . . 0 N--CA 1.431 -1.378 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 . . . . . 0 CA--C 1.545 0.785 0 CA-C-O 122.306 1.05 . . . . 0.0 111.152 174.812 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.209 0 N-CA-C 113.532 0.173 . . . . 0.0 113.532 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.2 t . . . . . 0 C--N 1.313 -1.004 0 CA-C-O 121.091 0.472 . . . . 0.0 110.487 -175.612 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 . . . . . 0 N--CA 1.434 -1.252 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.0 m -88.73 118.8 28.67 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.46 0.648 . . . . 0.0 110.186 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.314 -0.941 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.608 -172.885 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 N--CA 1.428 -1.551 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 63.65 36.61 10.74 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.45 1.119 . . . . 0.0 108.602 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 -2.35 62.78 Favored Glycine 0 N--CA 1.431 -1.657 0 CA-C-N 114.497 -1.228 . . . . 0.0 113.553 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.8 t . . . . . 0 C--N 1.317 -0.828 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -177.456 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? . . . . . 0 N--CA 1.429 -1.487 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.0 m -96.93 127.34 42.81 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.018 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.31 -1.127 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.224 -176.171 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 . . . . . 0 N--CA 1.426 -1.628 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 . . . . . 0 CA--C 1.545 0.765 0 CA-C-O 122.164 0.983 . . . . 0.0 110.352 175.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.853 0 N-CA-C 114.621 0.608 . . . . 0.0 114.621 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 C--N 1.311 -1.09 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.108 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 . . . . . 0 N--CA 1.434 -1.262 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -102.21 116.48 32.75 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.528 0.68 . . . . 0.0 110.705 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.289 -2.052 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.75 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 . . . . . 0 N--CA 1.434 -1.263 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 55.41 51.7 12.49 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-O 122.101 0.953 . . . . 0.0 111.025 176.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.91 -21.95 27.87 Favored Glycine 0 N--CA 1.42 -2.37 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.342 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 N--CA 1.444 -0.769 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 -179.537 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 . . . . . 0 N--CA 1.43 -1.43 0 CA-C-O 121.165 0.507 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.4 m -100.11 119.69 38.7 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.834 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.299 -1.596 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 178.876 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 . . . . . 0 N--CA 1.438 -1.07 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 122.09 0.947 . . . . 0.0 109.589 -178.232 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.808 0 CA-C-O 120.123 -0.265 . . . . 0.0 113.421 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 N--CA 1.442 -0.839 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.7 m -99.24 117.76 34.43 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 121.537 0.684 . . . . 0.0 110.96 -176.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.302 -1.474 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.202 -176.864 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 N--CA 1.43 -1.446 0 CA-C-O 120.906 0.384 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 61.36 40.04 14.61 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 122.586 1.184 . . . . 0.0 109.414 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.12 -17.54 41.6 Favored Glycine 0 N--CA 1.423 -2.181 0 CA-C-N 114.088 -1.415 . . . . 0.0 113.45 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.452 HG12 ' HG2' ' A' ' 13' ' ' ARG . 28.4 t . . . . . 0 C--N 1.314 -0.95 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -176.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.452 ' HG2' HG12 ' A' ' 11' ' ' VAL . 37.9 mmt180 . . . . . 0 CA--C 1.499 -1.001 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 37.3 m -102.15 117.37 34.63 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.329 0.585 . . . . 0.0 110.097 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.297 -1.689 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -177.214 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 . . . . . 0 N--CA 1.434 -1.23 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 . . . . . 0 CA--C 1.548 0.895 0 CA-C-O 123.056 1.407 . . . . 0.0 110.027 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.698 0 N-CA-C 114.49 0.556 . . . . 0.0 114.49 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.9 t . . . . . 0 C--N 1.31 -1.146 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -177.672 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 . . . . . 0 N--CA 1.428 -1.559 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 63.9 m -103.14 124.84 49.34 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.157 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.8 t . . . . . 0 C--N 1.304 -1.383 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -178.521 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 . . . . . 0 N--CA 1.421 -1.913 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 56.23 48.67 16.83 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 124.892 1.277 . . . . 0.0 110.928 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.67 0.21 79.36 Favored Glycine 0 N--CA 1.422 -2.259 0 CA-C-N 115.377 -0.829 . . . . 0.0 114.073 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 N--CA 1.444 -0.752 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.037 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 4.4 ptp180 . . . . . 0 N--CA 1.439 -0.988 0 CA-C-O 120.97 0.414 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.3 m -108.62 121.79 45.75 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.916 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 C--N 1.299 -1.603 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -179.105 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 . . . . . 0 N--CA 1.421 -1.894 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 . . . . . 0 CA--C 1.545 0.776 0 CA-C-O 122.387 1.089 . . . . 0.0 110.725 177.953 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.276 0 CA-C-O 120.249 -0.195 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.7 t . . . . . 0 N--CA 1.439 -0.997 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.802 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 . . . . . 0 N--CA 1.432 -1.347 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 72.0 m -99.27 124.99 44.8 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.936 177.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.294 -1.836 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.736 177.786 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 . . . . . 0 N--CA 1.433 -1.31 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 55.38 48.22 19.56 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.238 1.015 . . . . 0.0 109.955 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.04 -20.68 14.65 Favored Glycine 0 N--CA 1.424 -2.124 0 CA-C-N 114.911 -1.04 . . . . 0.0 114.068 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.0 t . . . . . 0 C--N 1.317 -0.804 0 CA-C-N 117.543 0.671 . . . . 0.0 109.84 -177.023 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 . . . . . 0 N--CA 1.428 -1.547 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.6 m -107.35 110.16 22.09 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 175.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.1 t . . . . . 0 C--N 1.289 -2.035 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.214 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 . . . . . 0 N--CA 1.439 -1.0 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 . . . . . 0 C--N 1.322 -0.614 0 CA-C-O 122.7 1.238 . . . . 0.0 109.392 -179.186 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.507 0 N-CA-C 113.37 0.108 . . . . 0.0 113.37 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.1 t . . . . . 0 C--N 1.315 -0.917 0 CA-C-O 121.317 0.58 . . . . 0.0 109.724 179.082 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 . . . . . 0 N--CA 1.436 -1.153 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.2 m -115.97 122.78 46.28 Favored 'General case' 0 N--CA 1.426 -1.67 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.293 -1.863 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.859 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 . . . . . 0 N--CA 1.436 -1.127 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 62.77 35.91 13.54 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 122.402 1.096 . . . . 0.0 109.427 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.42 6.67 84.38 Favored Glycine 0 N--CA 1.428 -1.842 0 CA-C-N 114.052 -1.431 . . . . 0.0 113.757 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--N 1.312 -1.035 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.159 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 . . . . . 0 N--CA 1.449 -0.524 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -121.57 135.07 55.02 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.315 -0.903 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.651 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 . . . . . 0 C--O 1.243 0.726 0 CA-C-O 121.088 0.471 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 . . . . . 0 CA--C 1.542 0.642 0 C-N-CA 125.223 1.409 . . . . 0.0 111.65 175.594 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.278 0 N-CA-C 114.143 0.417 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.2 t . . . . . 0 C--N 1.311 -1.067 0 CA-C-N 117.713 0.756 . . . . 0.0 109.39 -179.745 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 . . . . . 0 N--CA 1.43 -1.43 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 65.8 m -101.24 124.41 46.89 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.146 0.498 . . . . 0.0 111.275 -178.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.304 -1.411 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 178.07 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 . . . . . 0 N--CA 1.429 -1.483 0 CA-C-O 120.622 0.249 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 55.28 48.4 19.37 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 124.932 1.293 . . . . 0.0 111.524 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.69 8.23 81.23 Favored Glycine 0 N--CA 1.419 -2.437 0 CA-C-N 114.837 -1.074 . . . . 0.0 113.596 177.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t . . . . . 0 N--CA 1.438 -1.061 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 178.253 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 . . . . . 0 N--CA 1.443 -0.821 0 CA-C-O 120.936 0.398 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.8 m -100.87 118.45 36.94 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.457 0.646 . . . . 0.0 110.673 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.302 -1.495 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -177.911 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 . . . . . 0 CA--C 1.508 -0.64 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 122.681 1.229 . . . . 0.0 108.23 -175.762 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.517 0 N-CA-C 113.756 0.262 . . . . 0.0 113.756 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--N 1.308 -1.207 0 CA-C-N 117.722 0.761 . . . . 0.0 110.426 -179.413 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.454 ' NH1' ' HD2' ' A' ' 17' ' ' ARG . 9.2 ptp180 . . . . . 0 N--CA 1.436 -1.169 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.6 m -130.14 128.36 41.64 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-O 121.085 0.469 . . . . 0.0 110.121 -178.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.3 -1.587 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.2 ttm-85 . . . . . 0 N--CA 1.431 -1.407 0 CA-C-O 120.778 0.323 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 55.27 51.75 12.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.386 1.074 . . . . 0.0 110.809 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.89 -4.92 67.66 Favored Glycine 0 N--CA 1.422 -2.287 0 CA-C-N 115.214 -0.903 . . . . 0.0 114.428 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 N--CA 1.438 -1.069 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 . . . . . 0 N--CA 1.439 -0.985 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 77.9 m -95.29 128.71 42.35 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.304 -1.389 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.607 -176.207 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HD2' ' NH1' ' A' ' 4' ' ' ARG . 18.5 ttm180 . . . . . 0 CA--C 1.507 -0.692 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 . . . . . 0 CA--C 1.539 0.538 0 CA-C-O 122.9 1.333 . . . . 0.0 109.292 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.213 0 N-CA-C 114.373 0.509 . . . . 0.0 114.373 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.0 t . . . . . 0 C--N 1.314 -0.944 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.787 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 . . . . . 0 N--CA 1.439 -1.024 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 95.5 m -90.96 114.18 26.61 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 121.689 0.757 . . . . 0.0 109.465 174.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.285 -2.222 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 -177.279 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 . . . . . 0 N--CA 1.428 -1.556 0 CA-C-O 121.356 0.598 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 53.9 46.48 25.58 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.057 1.343 . . . . 0.0 111.555 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.96 -12.29 69.49 Favored Glycine 0 N--CA 1.423 -2.212 0 CA-C-N 115.065 -0.971 . . . . 0.0 114.093 177.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.0 t . . . . . 0 C--N 1.314 -0.967 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.503 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 . . . . . 0 N--CA 1.444 -0.755 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.7 m -99.17 115.96 30.27 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.201 0.525 . . . . 0.0 109.996 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 t . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 . . . . . 0 N--CA 1.435 -1.223 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 124.911 1.284 . . . . 0.0 111.11 -179.096 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.31 0 N-CA-C 113.825 0.29 . . . . 0.0 113.825 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--N 1.315 -0.92 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.777 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 . . . . . 0 N--CA 1.438 -1.028 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.3 m -103.81 123.95 48.02 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.047 0.451 . . . . 0.0 111.732 -171.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 C--O 1.249 1.049 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.819 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 . . . . . 0 N--CA 1.432 -1.373 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? 61.73 40.58 12.91 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.342 1.068 . . . . 0.0 109.292 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.9 1.43 32.34 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-N 114.965 -1.016 . . . . 0.0 113.902 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 N--CA 1.431 -1.38 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.566 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 N--CA 1.438 -1.036 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.8 m -120.28 126.68 51.18 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.307 -1.269 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.023 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 . . . . . 0 N--CA 1.427 -1.6 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 124.862 1.265 . . . . 0.0 110.796 -179.039 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.507 0 N-CA-C 114.103 0.401 . . . . 0.0 114.103 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.309 -1.168 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.817 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 . . . . . 0 N--CA 1.438 -1.066 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.7 m -104.85 119.93 40.2 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 120.98 0.419 . . . . 0.0 110.236 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.42 -1.963 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.394 179.856 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 . . . . . 0 N--CA 1.425 -1.69 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 63.23 34.81 13.08 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 122.307 1.051 . . . . 0.0 110.547 177.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.35 -9.5 77.3 Favored Glycine 0 N--CA 1.426 -2.014 0 CA-C-N 114.908 -1.042 . . . . 0.0 113.575 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 C--N 1.311 -1.072 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.608 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 ttm-85 . . . . . 0 N--CA 1.439 -0.989 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.6 m -121.31 118.85 30.55 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.034 0.445 . . . . 0.0 111.418 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.302 -1.477 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.084 177.973 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 . . . . . 0 N--CA 1.44 -0.967 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 122.324 1.059 . . . . 0.0 109.591 179.719 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.403 0 CA-C-O 120.37 -0.128 . . . . 0.0 113.216 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t -87.2 104.69 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.007 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -117.26 125.87 51.82 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.721 -177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.8 m -98.41 115.34 28.28 Favored 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.1 t -113.57 134.44 56.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 4.0 mmp_? -112.74 98.55 7.28 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 53.13 51.07 16.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.173 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.6 -28.47 7.62 Favored Glycine 0 N--CA 1.419 -2.486 0 CA-C-N 115.182 -0.917 . . . . 0.0 114.108 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.9 t -85.3 129.5 37.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 117.712 0.756 . . . . 0.0 110.362 -176.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -104.39 110.59 22.9 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.641 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.2 m -98.04 115.44 28.23 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 t -128.82 137.52 57.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -177.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -116.34 102.15 9.29 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 . . . . . 0 CA--C 1.542 0.645 0 CA-C-O 122.571 1.177 . . . . 0.0 110.683 -179.529 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.41 -3.072 0 CA-C-O 120.123 -0.265 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.0 106.92 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-O 121.158 0.504 . . . . 0.0 110.29 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -88.96 118.33 28.61 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 64.5 m -103.47 117.5 34.6 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.321 0.581 . . . . 0.0 110.501 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.7 t -111.33 133.0 58.34 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -92.99 111.58 23.26 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 58.6 41.05 22.89 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.358 1.075 . . . . 0.0 109.545 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.18 -14.59 14.55 Favored Glycine 0 N--CA 1.435 -1.415 0 CA-C-N 114.961 -1.018 . . . . 0.0 114.106 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -80.33 122.0 34.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -99.68 109.71 22.16 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 177.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -100.26 121.28 41.22 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.072 0.463 . . . . 0.0 110.152 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.2 t -112.09 127.72 69.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -91.05 98.69 11.92 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.551 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 . . . . . 0 C--O 1.238 0.49 0 C-N-CA 124.392 1.077 . . . . 0.0 109.801 179.296 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.665 0 N-CA-C 113.93 0.332 . . . . 0.0 113.93 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.8 t -77.91 109.61 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 117.277 0.538 . . . . 0.0 110.252 -175.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.459 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 36.4 mmt180 -90.21 106.37 18.44 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.293 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 81.0 m -96.31 109.01 21.59 Favored 'General case' 0 C--N 1.29 -2.022 0 CA-C-O 121.366 0.603 . . . . 0.0 109.832 177.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t -101.46 128.78 53.48 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.265 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -86.76 98.0 10.92 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 51.22 57.68 6.36 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.647 1.179 . . . . 0.0 109.793 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.13 -13.48 9.61 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 114.83 -1.077 . . . . 0.0 114.562 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -92.99 116.24 33.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 117.451 0.625 . . . . 0.0 110.102 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -119.23 105.62 11.53 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 174.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 60.5 m -94.12 120.5 34.45 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.885 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.44 120.14 62.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -101.7 105.8 16.75 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.247 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 . . . . . 0 C--O 1.243 0.747 0 CA-C-O 122.532 1.158 . . . . 0.0 110.029 -179.227 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.654 0 N-CA-C 113.649 0.219 . . . . 0.0 113.649 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t -97.74 118.5 44.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -111.03 117.21 32.69 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.082 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 62.0 m -104.33 121.91 44.35 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t -119.45 135.32 60.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -103.48 99.28 9.1 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.393 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 52.27 57.4 6.5 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.763 1.225 . . . . 0.0 110.232 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.71 -24.19 6.04 Favored Glycine 0 N--CA 1.414 -2.783 0 CA-C-N 114.927 -1.033 . . . . 0.0 114.106 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.6 t -85.51 103.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 117.682 0.741 . . . . 0.0 109.657 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 31.7 tpt180 -90.82 118.51 30.29 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.219 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.84 122.3 42.6 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.5 p -132.33 145.2 34.99 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -128.3 104.98 8.03 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.63 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 . . . . . 0 CA--C 1.542 0.661 0 CA-C-O 122.225 1.012 . . . . 0.0 109.9 178.038 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.086 0 N-CA-C 113.799 0.28 . . . . 0.0 113.799 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.64 110.33 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.346 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -115.56 123.55 48.77 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.8 m -99.85 114.89 28.4 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.326 0.584 . . . . 0.0 110.987 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t -111.27 130.4 64.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -126.32 110.38 13.32 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.946 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . 26.6 tpt180 58.46 43.83 18.98 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 125.076 1.35 . . . . 0.0 109.89 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.19 -13.86 36.76 Favored Glycine 0 N--CA 1.419 -2.437 0 CA-C-N 114.955 -1.02 . . . . 0.0 113.242 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.4 t -85.33 111.94 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.508 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 33.2 mmt180 -98.16 105.32 17.44 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.0 m -96.11 108.39 20.82 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 174.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.9 t -102.56 123.48 55.9 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.499 0 CA-C-N 114.618 -1.173 . . . . 0.0 108.589 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -121.08 112.33 18.57 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 71.3 ttt180 . . . . . 0 CA--C 1.551 0.987 0 CA-C-O 123.155 1.455 . . . . 0.0 110.217 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.311 0 CA-C-O 120.136 -0.258 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.4 t -82.11 104.28 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.436 ' CG ' ' HB3' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -102.93 116.4 32.46 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.124 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 84.6 m -105.36 117.11 33.17 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.038 0.447 . . . . 0.0 110.314 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.4 t -118.15 133.78 63.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ABA . . . . . 0.485 ' HA ' ' O ' ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -131.21 133.31 45.36 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.71 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 60.63 36.73 19.6 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 122.96 1.362 . . . . 0.0 109.795 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.31 4.36 63.96 Favored Glycine 0 N--CA 1.433 -1.562 0 CA-C-N 113.959 -1.473 . . . . 0.0 114.617 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 7' ' ' ABA . 56.8 t -103.04 118.13 49.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 117.249 0.525 . . . . 0.0 109.89 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 ttp180 -92.99 122.4 35.31 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.198 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HB3' ' CG ' ' A' ' 3' ' ' ABA . 75.6 m -106.29 119.81 40.21 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 t -114.7 130.21 69.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -178.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -111.01 97.16 6.61 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 124.548 1.139 . . . . 0.0 111.164 -177.129 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.247 0 N-CA-C 114.063 0.385 . . . . 0.0 114.063 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.2 t -90.05 108.67 19.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -127.78 123.8 36.14 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 86.1 m -105.75 118.35 36.36 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.132 0.492 . . . . 0.0 110.665 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t -103.89 123.74 57.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -103.09 103.33 13.4 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.282 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 55.85 43.98 26.69 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.63 1.172 . . . . 0.0 111.545 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.64 -21.22 47.28 Favored Glycine 0 N--CA 1.419 -2.45 0 CA-C-N 115.223 -0.899 . . . . 0.0 113.88 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.6 t -94.89 113.67 29.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 117.387 0.593 . . . . 0.0 110.179 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -102.4 126.32 49.4 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.6 m -106.37 126.43 52.23 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 121.118 0.485 . . . . 0.0 111.367 -176.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.4 t -102.04 128.81 54.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -127.33 110.37 12.74 Favored 'General case' 0 N--CA 1.423 -1.785 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.926 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 . . . . . 0 C--N 1.322 -0.606 0 C-N-CA 124.767 1.227 . . . . 0.0 111.08 177.308 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.415 -2.766 0 N-CA-C 114.331 0.493 . . . . 0.0 114.331 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.9 t -100.07 109.11 24.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 118.059 0.929 . . . . 0.0 110.722 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -135.18 124.44 24.6 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.8 m -105.56 121.59 44.28 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.728 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.59 137.1 58.24 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -115.63 110.88 19.81 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 57.62 45.53 19.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.443 1.116 . . . . 0.0 109.859 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.13 -4.77 53.34 Favored Glycine 0 N--CA 1.431 -1.676 0 CA-C-N 114.216 -1.357 . . . . 0.0 114.56 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -102.81 123.13 55.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 117.639 0.719 . . . . 0.0 109.496 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -98.97 118.07 34.92 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.798 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 70.7 m -100.42 119.77 38.96 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.479 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.8 t -109.0 132.89 55.8 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -121.43 106.28 11.28 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.515 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 . . . . . 0 C--N 1.315 -0.898 0 C-N-CA 125.079 1.351 . . . . 0.0 110.926 175.149 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.565 0 N-CA-C 113.256 0.062 . . . . 0.0 113.256 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t -89.68 105.01 15.64 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -108.53 113.6 26.76 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 70.3 m -96.61 117.35 30.79 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.564 0.697 . . . . 0.0 110.806 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.76 127.27 70.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -103.39 98.07 8.03 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.6 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 53.84 45.6 27.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.859 1.264 . . . . 0.0 111.695 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.46 -22.71 39.33 Favored Glycine 0 N--CA 1.418 -2.564 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.99 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.5 t -86.97 102.99 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.518 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -102.92 119.32 38.63 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.246 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.5 m -95.21 115.06 26.93 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-O 121.952 0.882 . . . . 0.0 109.795 176.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.2 116.55 48.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -112.46 100.23 8.6 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.932 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 . . . . . 0 CA--C 1.545 0.785 0 CA-C-O 122.306 1.05 . . . . 0.0 111.152 174.812 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.209 0 N-CA-C 113.532 0.173 . . . . 0.0 113.532 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.2 t -92.37 116.44 33.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-O 121.091 0.472 . . . . 0.0 110.487 -175.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -124.22 135.5 53.48 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.0 m -88.73 118.8 28.67 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.46 0.648 . . . . 0.0 110.186 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.1 t -130.69 153.11 38.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.608 -172.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -96.97 111.77 23.83 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.803 -173.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 63.65 36.61 10.74 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.45 1.119 . . . . 0.0 108.602 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 -2.35 62.78 Favored Glycine 0 N--CA 1.431 -1.657 0 CA-C-N 114.497 -1.228 . . . . 0.0 113.553 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.8 t -108.33 130.13 61.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -135.94 145.74 46.55 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.0 m -96.93 127.34 42.81 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.018 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.65 141.52 27.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.224 -176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -105.29 101.32 10.87 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.402 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 . . . . . 0 CA--C 1.545 0.765 0 CA-C-O 122.164 0.983 . . . . 0.0 110.352 175.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.853 0 N-CA-C 114.621 0.608 . . . . 0.0 114.621 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.4 t -96.03 115.56 35.58 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -87.78 112.0 21.97 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -102.21 116.48 32.75 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.528 0.68 . . . . 0.0 110.705 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.3 t -109.16 119.98 59.66 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -110.82 99.33 8.27 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.794 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 55.41 51.7 12.49 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-O 122.101 0.953 . . . . 0.0 111.025 176.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.91 -21.95 27.87 Favored Glycine 0 N--CA 1.42 -2.37 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.342 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.3 t -83.13 103.13 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -81.41 106.22 13.2 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.787 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.4 m -100.11 119.69 38.7 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.834 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.01 128.69 69.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -121.03 109.82 15.51 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 122.09 0.947 . . . . 0.0 109.589 -178.232 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.808 0 CA-C-O 120.123 -0.265 . . . . 0.0 113.421 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.2 t -84.47 109.12 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -122.86 134.01 54.4 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.7 m -99.24 117.76 34.43 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 121.537 0.684 . . . . 0.0 110.96 -176.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.9 t -113.8 134.77 55.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.202 -176.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -99.41 107.46 19.7 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.317 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 61.36 40.04 14.61 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 122.586 1.184 . . . . 0.0 109.414 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.12 -17.54 41.6 Favored Glycine 0 N--CA 1.423 -2.181 0 CA-C-N 114.088 -1.415 . . . . 0.0 113.45 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.452 HG12 ' HG2' ' A' ' 13' ' ' ARG . 28.4 t -91.03 110.91 22.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -176.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.452 ' HG2' HG12 ' A' ' 11' ' ' VAL . 37.9 mmt180 -121.85 140.31 52.55 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 37.3 m -102.15 117.37 34.63 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.329 0.585 . . . . 0.0 110.097 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -101.53 138.34 26.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -177.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -127.31 101.99 6.72 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 . . . . . 0 CA--C 1.548 0.895 0 CA-C-O 123.056 1.407 . . . . 0.0 110.027 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.698 0 N-CA-C 114.49 0.556 . . . . 0.0 114.49 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.9 t -102.41 125.09 56.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -101.87 111.11 23.26 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -177.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 63.9 m -103.14 124.84 49.34 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.157 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.8 t -120.65 137.56 54.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -131.33 114.26 14.78 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 56.23 48.67 16.83 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 124.892 1.277 . . . . 0.0 110.928 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.67 0.21 79.36 Favored Glycine 0 N--CA 1.422 -2.259 0 CA-C-N 115.377 -0.829 . . . . 0.0 114.073 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -103.54 106.9 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 4.4 ptp180 -103.97 130.41 51.6 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.303 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.3 m -108.62 121.79 45.75 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.916 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.54 141.61 43.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -118.64 100.85 7.69 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -177.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 . . . . . 0 CA--C 1.545 0.776 0 CA-C-O 122.387 1.089 . . . . 0.0 110.725 177.953 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.276 0 CA-C-O 120.249 -0.195 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.7 t -86.36 108.76 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -112.88 118.53 35.15 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.956 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 72.0 m -99.27 124.99 44.8 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.936 177.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 p -137.44 133.98 46.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.736 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ABA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -94.97 107.87 19.91 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.322 -175.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 55.38 48.22 19.56 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.238 1.015 . . . . 0.0 109.955 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.04 -20.68 14.65 Favored Glycine 0 N--CA 1.424 -2.124 0 CA-C-N 114.911 -1.04 . . . . 0.0 114.068 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.15 120.06 42.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 117.543 0.671 . . . . 0.0 109.84 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ABA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -108.24 117.14 33.38 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.484 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.6 m -107.35 110.16 22.09 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 175.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.1 t -102.14 126.88 56.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -135.04 122.21 21.48 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.001 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 . . . . . 0 C--N 1.322 -0.614 0 CA-C-O 122.7 1.238 . . . . 0.0 109.392 -179.186 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.507 0 N-CA-C 113.37 0.108 . . . . 0.0 113.37 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.1 t -89.24 103.29 13.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-O 121.317 0.58 . . . . 0.0 109.724 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.406 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -129.28 137.57 51.13 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.2 m -115.97 122.78 46.28 Favored 'General case' 0 N--CA 1.426 -1.67 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.3 t -111.07 125.91 68.43 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -129.05 121.93 28.91 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -175.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 62.77 35.91 13.54 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 122.402 1.096 . . . . 0.0 109.427 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.42 6.67 84.38 Favored Glycine 0 N--CA 1.428 -1.842 0 CA-C-N 114.052 -1.431 . . . . 0.0 113.757 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t -107.59 115.83 49.71 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -128.33 136.72 51.35 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -121.57 135.07 55.02 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 23.3 t -121.58 139.19 49.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -104.82 97.98 7.78 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 121.088 0.471 . . . . 0.0 111.224 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 . . . . . 0 CA--C 1.542 0.642 0 C-N-CA 125.223 1.409 . . . . 0.0 111.65 175.594 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.278 0 N-CA-C 114.143 0.417 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.2 t -90.61 113.15 26.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 117.713 0.756 . . . . 0.0 109.39 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -106.65 130.17 54.43 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 65.8 m -101.24 124.41 46.89 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.146 0.498 . . . . 0.0 111.275 -178.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.5 t -102.26 127.1 56.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -134.69 121.02 20.22 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.775 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 55.28 48.4 19.37 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 124.932 1.293 . . . . 0.0 111.524 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.69 8.23 81.23 Favored Glycine 0 N--CA 1.419 -2.437 0 CA-C-N 114.837 -1.074 . . . . 0.0 113.596 177.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t -114.94 118.09 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -126.1 125.17 42.12 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.566 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.8 m -100.87 118.45 36.94 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.457 0.646 . . . . 0.0 110.673 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 t -112.84 135.45 52.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -89.31 110.14 20.95 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 122.681 1.229 . . . . 0.0 108.23 -175.762 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.517 0 N-CA-C 113.756 0.262 . . . . 0.0 113.756 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.1 t -104.61 118.39 51.82 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 CA-C-N 117.722 0.761 . . . . 0.0 110.426 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.454 ' NH1' ' HD2' ' A' ' 17' ' ' ARG . 9.2 ptp180 -116.75 164.87 13.99 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.6 m -130.14 128.36 41.64 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-O 121.085 0.469 . . . . 0.0 110.121 -178.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.3 t -104.1 125.42 58.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.587 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.2 ttm-85 -103.36 101.22 11.13 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.214 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 55.27 51.75 12.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.386 1.074 . . . . 0.0 110.809 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.89 -4.92 67.66 Favored Glycine 0 N--CA 1.422 -2.287 0 CA-C-N 115.214 -0.903 . . . . 0.0 114.428 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -103.05 105.39 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -100.68 119.91 39.29 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.796 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 77.9 m -95.29 128.71 42.35 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.59 145.42 26.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.607 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HD2' ' NH1' ' A' ' 4' ' ' ARG . 18.5 ttm180 -112.78 118.43 34.95 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.198 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 . . . . . 0 CA--C 1.539 0.538 0 CA-C-O 122.9 1.333 . . . . 0.0 109.292 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.213 0 N-CA-C 114.373 0.509 . . . . 0.0 114.373 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.0 t -92.43 113.14 27.06 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.505 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -104.74 115.58 30.56 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 95.5 m -90.96 114.18 26.61 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 121.689 0.757 . . . . 0.0 109.465 174.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 t -101.59 111.41 31.21 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.222 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -133.64 108.86 8.81 Favored 'General case' 0 C--N 1.294 -1.804 0 CA-C-O 121.356 0.598 . . . . 0.0 112.034 -177.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 53.9 46.48 25.58 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.057 1.343 . . . . 0.0 111.555 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.96 -12.29 69.49 Favored Glycine 0 N--CA 1.423 -2.212 0 CA-C-N 115.065 -0.971 . . . . 0.0 114.093 177.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.0 t -102.78 119.9 51.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -104.65 109.55 21.51 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.7 m -99.17 115.96 30.27 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.201 0.525 . . . . 0.0 109.996 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 19.7 t -102.21 128.85 54.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -116.91 110.4 18.27 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 124.911 1.284 . . . . 0.0 111.11 -179.096 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.31 0 N-CA-C 113.825 0.29 . . . . 0.0 113.825 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.9 t -106.51 115.7 48.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.418 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -108.57 125.66 52.08 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 175.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.3 m -103.81 123.95 48.02 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.047 0.451 . . . . 0.0 111.732 -171.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.0 t -131.65 141.06 46.69 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -105.46 119.32 38.8 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 114.291 -1.322 . . . . 0.0 108.642 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? 61.73 40.58 12.91 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.342 1.068 . . . . 0.0 109.292 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.9 1.43 32.34 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-N 114.965 -1.016 . . . . 0.0 113.902 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.0 t -104.43 112.8 39.46 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.38 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -114.01 156.07 24.74 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.556 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.8 m -120.28 126.68 51.18 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 5.6 p -102.35 130.82 51.63 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.269 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -112.09 105.12 13.41 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 124.862 1.265 . . . . 0.0 110.796 -179.039 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.507 0 N-CA-C 114.103 0.401 . . . . 0.0 114.103 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.6 t -93.54 115.66 32.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -95.39 114.26 26.01 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.7 m -104.85 119.93 40.2 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 120.98 0.419 . . . . 0.0 110.236 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 p -120.77 125.68 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.963 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.394 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ABA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -114.76 107.31 15.28 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.573 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 63.23 34.81 13.08 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 122.307 1.051 . . . . 0.0 110.547 177.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.35 -9.5 77.3 Favored Glycine 0 N--CA 1.426 -2.014 0 CA-C-N 114.908 -1.042 . . . . 0.0 113.575 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.79 106.98 18.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ABA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 ttm-85 -124.59 137.63 54.38 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.6 m -121.31 118.85 30.55 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.034 0.445 . . . . 0.0 111.418 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.9 p -105.65 128.6 59.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.084 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -134.79 120.23 19.14 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 122.324 1.059 . . . . 0.0 109.591 179.719 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.403 0 CA-C-O 120.37 -0.128 . . . . 0.0 113.216 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 N--CA 1.439 -1.007 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -178.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 N--CA 1.434 -1.254 0 CA-C-O 120.835 0.35 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.8 m -98.41 115.34 28.28 Favored 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.291 -1.955 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -178.211 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 4.0 mmp_? . . . . . 0 N--CA 1.435 -1.204 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 53.13 51.07 16.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.173 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.6 -28.47 7.62 Favored Glycine 0 N--CA 1.419 -2.486 0 CA-C-N 115.182 -0.917 . . . . 0.0 114.108 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 117.712 0.756 . . . . 0.0 110.362 -176.201 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 . . . . . 0 CA--C 1.507 -0.706 0 CA-C-O 120.576 0.226 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.2 m -98.04 115.44 28.23 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.301 -1.508 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -177.13 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 . . . . . 0 N--CA 1.435 -1.212 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 . . . . . 0 CA--C 1.542 0.645 0 CA-C-O 122.571 1.177 . . . . 0.0 110.683 -179.529 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.41 -3.072 0 CA-C-O 120.123 -0.265 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 N--CA 1.448 -0.571 0 CA-C-O 121.158 0.504 . . . . 0.0 110.29 -177.437 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 . . . . . 0 N--CA 1.44 -0.972 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 64.5 m -103.47 117.5 34.6 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.321 0.581 . . . . 0.0 110.501 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 C--N 1.296 -1.722 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.475 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 . . . . . 0 N--CA 1.433 -1.309 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 58.6 41.05 22.89 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.358 1.075 . . . . 0.0 109.545 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.18 -14.59 14.55 Favored Glycine 0 N--CA 1.435 -1.415 0 CA-C-N 114.961 -1.018 . . . . 0.0 114.106 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 C--N 1.321 -0.672 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -178.146 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 . . . . . 0 N--CA 1.425 -1.709 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -100.26 121.28 41.22 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.072 0.463 . . . . 0.0 110.152 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.2 t . . . . . 0 C--N 1.303 -1.44 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.669 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 . . . . . 0 N--CA 1.441 -0.876 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 . . . . . 0 C--O 1.238 0.49 0 C-N-CA 124.392 1.077 . . . . 0.0 109.801 179.296 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.665 0 N-CA-C 113.93 0.332 . . . . 0.0 113.93 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 117.277 0.538 . . . . 0.0 110.252 -175.91 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.459 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 36.4 mmt180 . . . . . 0 CA--C 1.494 -1.178 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 81.0 m -96.31 109.01 21.59 Favored 'General case' 0 C--N 1.29 -2.022 0 CA-C-O 121.366 0.603 . . . . 0.0 109.832 177.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 C--N 1.284 -2.265 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -178.195 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 . . . . . 0 N--CA 1.432 -1.359 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 51.22 57.68 6.36 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.647 1.179 . . . . 0.0 109.793 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.13 -13.48 9.61 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 114.83 -1.077 . . . . 0.0 114.562 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 C--N 1.315 -0.919 0 CA-C-N 117.451 0.625 . . . . 0.0 110.102 -178.65 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? . . . . . 0 N--CA 1.429 -1.477 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 60.5 m -94.12 120.5 34.45 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.885 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.305 -1.343 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.336 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 . . . . . 0 C--O 1.249 1.06 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 . . . . . 0 C--O 1.243 0.747 0 CA-C-O 122.532 1.158 . . . . 0.0 110.029 -179.227 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.654 0 N-CA-C 113.649 0.219 . . . . 0.0 113.649 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.316 -0.88 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 . . . . . 0 N--CA 1.434 -1.259 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 62.0 m -104.33 121.91 44.35 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 C--N 1.308 -1.234 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.608 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 . . . . . 0 N--CA 1.437 -1.096 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 52.27 57.4 6.5 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.763 1.225 . . . . 0.0 110.232 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.71 -24.19 6.04 Favored Glycine 0 N--CA 1.414 -2.783 0 CA-C-N 114.927 -1.033 . . . . 0.0 114.106 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 117.682 0.741 . . . . 0.0 109.657 -178.536 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 31.7 tpt180 . . . . . 0 N--CA 1.431 -1.389 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.84 122.3 42.6 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.3 -1.579 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.719 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 . . . . . 0 N--CA 1.44 -0.963 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 . . . . . 0 CA--C 1.542 0.661 0 CA-C-O 122.225 1.012 . . . . 0.0 109.9 178.038 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.086 0 N-CA-C 113.799 0.28 . . . . 0.0 113.799 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 N--CA 1.432 -1.346 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.874 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 . . . . . 0 N--CA 1.432 -1.359 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.8 m -99.85 114.89 28.4 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.326 0.584 . . . . 0.0 110.987 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.301 -1.518 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.059 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 . . . . . 0 N--CA 1.44 -0.935 0 CA-C-O 120.93 0.395 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . 26.6 tpt180 58.46 43.83 18.98 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 125.076 1.35 . . . . 0.0 109.89 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.19 -13.86 36.76 Favored Glycine 0 N--CA 1.419 -2.437 0 CA-C-N 114.955 -1.02 . . . . 0.0 113.242 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.525 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.508 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 33.2 mmt180 . . . . . 0 N--CA 1.432 -1.368 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.0 m -96.11 108.39 20.82 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 174.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.9 t . . . . . 0 C--N 1.279 -2.499 0 CA-C-N 114.618 -1.173 . . . . 0.0 108.589 -176.155 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 . . . . . 0 N--CA 1.429 -1.521 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 71.3 ttt180 . . . . . 0 CA--C 1.551 0.987 0 CA-C-O 123.155 1.455 . . . . 0.0 110.217 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.311 0 CA-C-O 120.136 -0.258 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.442 -0.853 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -178.5 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 . . . . . 0 N--CA 1.444 -0.743 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 84.6 m -105.36 117.11 33.17 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.038 0.447 . . . . 0.0 110.314 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.298 -1.636 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.7 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 . . . . . 0 CA--C 1.497 -1.086 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 60.63 36.73 19.6 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 122.96 1.362 . . . . 0.0 109.795 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.31 4.36 63.96 Favored Glycine 0 N--CA 1.433 -1.562 0 CA-C-N 113.959 -1.473 . . . . 0.0 114.617 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.8 t . . . . . 0 C--N 1.317 -0.812 0 CA-C-N 117.249 0.525 . . . . 0.0 109.89 -179.473 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 ttp180 . . . . . 0 N--CA 1.442 -0.868 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.6 m -106.29 119.81 40.21 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.301 -1.542 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -178.202 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 N--CA 1.439 -0.982 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 124.548 1.139 . . . . 0.0 111.164 -177.129 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.247 0 N-CA-C 114.063 0.385 . . . . 0.0 114.063 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.2 t . . . . . 0 C--N 1.32 -0.707 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.352 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 86.1 m -105.75 118.35 36.36 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.132 0.492 . . . . 0.0 110.665 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 C--N 1.302 -1.494 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.476 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 . . . . . 0 N--CA 1.434 -1.226 0 CA-C-O 121.447 0.641 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 55.85 43.98 26.69 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.63 1.172 . . . . 0.0 111.545 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.64 -21.22 47.28 Favored Glycine 0 N--CA 1.419 -2.45 0 CA-C-N 115.223 -0.899 . . . . 0.0 113.88 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--N 1.315 -0.926 0 CA-C-N 117.387 0.593 . . . . 0.0 110.179 -178.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 . . . . . 0 N--CA 1.434 -1.251 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.6 m -106.37 126.43 52.23 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 121.118 0.485 . . . . 0.0 111.367 -176.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.299 -1.611 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 175.886 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 . . . . . 0 N--CA 1.423 -1.785 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 . . . . . 0 C--N 1.322 -0.606 0 C-N-CA 124.767 1.227 . . . . 0.0 111.08 177.308 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.415 -2.766 0 N-CA-C 114.331 0.493 . . . . 0.0 114.331 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.9 t . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 118.059 0.929 . . . . 0.0 110.722 179.734 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 . . . . . 0 N--CA 1.432 -1.337 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.8 m -105.56 121.59 44.28 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.728 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.31 -1.123 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.243 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 . . . . . 0 N--CA 1.432 -1.329 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 57.62 45.53 19.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.443 1.116 . . . . 0.0 109.859 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.13 -4.77 53.34 Favored Glycine 0 N--CA 1.431 -1.676 0 CA-C-N 114.216 -1.357 . . . . 0.0 114.56 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 117.639 0.719 . . . . 0.0 109.496 -179.272 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 . . . . . 0 N--CA 1.437 -1.119 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 70.7 m -100.42 119.77 38.96 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.479 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 C--N 1.294 -1.819 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 . . . . . 0 N--CA 1.437 -1.094 0 CA-C-O 120.695 0.283 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 . . . . . 0 C--N 1.315 -0.898 0 C-N-CA 125.079 1.351 . . . . 0.0 110.926 175.149 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.565 0 N-CA-C 113.256 0.062 . . . . 0.0 113.256 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--N 1.308 -1.224 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.36 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 . . . . . 0 N--CA 1.438 -1.049 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 70.3 m -96.61 117.35 30.79 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.564 0.697 . . . . 0.0 110.806 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.294 -1.823 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.33 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 . . . . . 0 N--CA 1.431 -1.381 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 53.84 45.6 27.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.859 1.264 . . . . 0.0 111.695 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.46 -22.71 39.33 Favored Glycine 0 N--CA 1.418 -2.564 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.99 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.5 t . . . . . 0 N--CA 1.429 -1.518 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 . . . . . 0 N--CA 1.426 -1.653 0 CA-C-O 120.771 0.319 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.5 m -95.21 115.06 26.93 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-O 121.952 0.882 . . . . 0.0 109.795 176.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.293 -1.877 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -179.789 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 . . . . . 0 N--CA 1.431 -1.378 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 . . . . . 0 CA--C 1.545 0.785 0 CA-C-O 122.306 1.05 . . . . 0.0 111.152 174.812 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.209 0 N-CA-C 113.532 0.173 . . . . 0.0 113.532 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.2 t . . . . . 0 C--N 1.313 -1.004 0 CA-C-O 121.091 0.472 . . . . 0.0 110.487 -175.612 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 . . . . . 0 N--CA 1.434 -1.252 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.0 m -88.73 118.8 28.67 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.46 0.648 . . . . 0.0 110.186 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.314 -0.941 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.608 -172.885 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 N--CA 1.428 -1.551 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 63.65 36.61 10.74 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.45 1.119 . . . . 0.0 108.602 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 -2.35 62.78 Favored Glycine 0 N--CA 1.431 -1.657 0 CA-C-N 114.497 -1.228 . . . . 0.0 113.553 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.8 t . . . . . 0 C--N 1.317 -0.828 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -177.456 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? . . . . . 0 N--CA 1.429 -1.487 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.0 m -96.93 127.34 42.81 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.018 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.31 -1.127 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.224 -176.171 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 . . . . . 0 N--CA 1.426 -1.628 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 . . . . . 0 CA--C 1.545 0.765 0 CA-C-O 122.164 0.983 . . . . 0.0 110.352 175.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.853 0 N-CA-C 114.621 0.608 . . . . 0.0 114.621 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 C--N 1.311 -1.09 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.108 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 . . . . . 0 N--CA 1.434 -1.262 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -102.21 116.48 32.75 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.528 0.68 . . . . 0.0 110.705 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.289 -2.052 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.75 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 . . . . . 0 N--CA 1.434 -1.263 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 55.41 51.7 12.49 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-O 122.101 0.953 . . . . 0.0 111.025 176.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.91 -21.95 27.87 Favored Glycine 0 N--CA 1.42 -2.37 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.342 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.3 t . . . . . 0 N--CA 1.444 -0.769 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 -179.537 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 . . . . . 0 N--CA 1.43 -1.43 0 CA-C-O 121.165 0.507 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.4 m -100.11 119.69 38.7 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.834 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.299 -1.596 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 178.876 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 . . . . . 0 N--CA 1.438 -1.07 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 122.09 0.947 . . . . 0.0 109.589 -178.232 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.808 0 CA-C-O 120.123 -0.265 . . . . 0.0 113.421 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 N--CA 1.442 -0.839 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.7 m -99.24 117.76 34.43 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 121.537 0.684 . . . . 0.0 110.96 -176.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.302 -1.474 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.202 -176.864 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 N--CA 1.43 -1.446 0 CA-C-O 120.906 0.384 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 61.36 40.04 14.61 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 122.586 1.184 . . . . 0.0 109.414 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.12 -17.54 41.6 Favored Glycine 0 N--CA 1.423 -2.181 0 CA-C-N 114.088 -1.415 . . . . 0.0 113.45 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.452 HG12 ' HG2' ' A' ' 13' ' ' ARG . 28.4 t . . . . . 0 C--N 1.314 -0.95 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -176.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.452 ' HG2' HG12 ' A' ' 11' ' ' VAL . 37.9 mmt180 . . . . . 0 CA--C 1.499 -1.001 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 37.3 m -102.15 117.37 34.63 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.329 0.585 . . . . 0.0 110.097 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.297 -1.689 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -177.214 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 . . . . . 0 N--CA 1.434 -1.23 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 . . . . . 0 CA--C 1.548 0.895 0 CA-C-O 123.056 1.407 . . . . 0.0 110.027 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.698 0 N-CA-C 114.49 0.556 . . . . 0.0 114.49 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.9 t . . . . . 0 C--N 1.31 -1.146 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -177.672 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 . . . . . 0 N--CA 1.428 -1.559 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 63.9 m -103.14 124.84 49.34 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.157 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.8 t . . . . . 0 C--N 1.304 -1.383 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -178.521 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 . . . . . 0 N--CA 1.421 -1.913 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 56.23 48.67 16.83 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 124.892 1.277 . . . . 0.0 110.928 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.67 0.21 79.36 Favored Glycine 0 N--CA 1.422 -2.259 0 CA-C-N 115.377 -0.829 . . . . 0.0 114.073 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 N--CA 1.444 -0.752 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.037 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 4.4 ptp180 . . . . . 0 N--CA 1.439 -0.988 0 CA-C-O 120.97 0.414 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.3 m -108.62 121.79 45.75 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.916 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 C--N 1.299 -1.603 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -179.105 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 . . . . . 0 N--CA 1.421 -1.894 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 . . . . . 0 CA--C 1.545 0.776 0 CA-C-O 122.387 1.089 . . . . 0.0 110.725 177.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.276 0 CA-C-O 120.249 -0.195 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.7 t . . . . . 0 N--CA 1.439 -0.997 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.802 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 . . . . . 0 N--CA 1.432 -1.347 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 72.0 m -99.27 124.99 44.8 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.936 177.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.294 -1.836 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.736 177.786 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 . . . . . 0 N--CA 1.433 -1.31 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 55.38 48.22 19.56 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.238 1.015 . . . . 0.0 109.955 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.04 -20.68 14.65 Favored Glycine 0 N--CA 1.424 -2.124 0 CA-C-N 114.911 -1.04 . . . . 0.0 114.068 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.0 t . . . . . 0 C--N 1.317 -0.804 0 CA-C-N 117.543 0.671 . . . . 0.0 109.84 -177.023 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 . . . . . 0 N--CA 1.428 -1.547 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.6 m -107.35 110.16 22.09 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 175.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.1 t . . . . . 0 C--N 1.289 -2.035 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.214 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 . . . . . 0 N--CA 1.439 -1.0 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 . . . . . 0 C--N 1.322 -0.614 0 CA-C-O 122.7 1.238 . . . . 0.0 109.392 -179.186 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.507 0 N-CA-C 113.37 0.108 . . . . 0.0 113.37 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.1 t . . . . . 0 C--N 1.315 -0.917 0 CA-C-O 121.317 0.58 . . . . 0.0 109.724 179.082 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 . . . . . 0 N--CA 1.436 -1.153 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.2 m -115.97 122.78 46.28 Favored 'General case' 0 N--CA 1.426 -1.67 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.293 -1.863 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.859 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 . . . . . 0 N--CA 1.436 -1.127 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 62.77 35.91 13.54 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 122.402 1.096 . . . . 0.0 109.427 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.42 6.67 84.38 Favored Glycine 0 N--CA 1.428 -1.842 0 CA-C-N 114.052 -1.431 . . . . 0.0 113.757 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 C--N 1.312 -1.035 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.159 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 . . . . . 0 N--CA 1.449 -0.524 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -121.57 135.07 55.02 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.315 -0.903 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.651 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 . . . . . 0 C--O 1.243 0.726 0 CA-C-O 121.088 0.471 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 . . . . . 0 CA--C 1.542 0.642 0 C-N-CA 125.223 1.409 . . . . 0.0 111.65 175.594 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.278 0 N-CA-C 114.143 0.417 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.2 t . . . . . 0 C--N 1.311 -1.067 0 CA-C-N 117.713 0.756 . . . . 0.0 109.39 -179.745 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 . . . . . 0 N--CA 1.43 -1.43 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 65.8 m -101.24 124.41 46.89 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.146 0.498 . . . . 0.0 111.275 -178.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.304 -1.411 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 178.07 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 . . . . . 0 N--CA 1.429 -1.483 0 CA-C-O 120.622 0.249 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 55.28 48.4 19.37 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 124.932 1.293 . . . . 0.0 111.524 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.69 8.23 81.23 Favored Glycine 0 N--CA 1.419 -2.437 0 CA-C-N 114.837 -1.074 . . . . 0.0 113.596 177.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t . . . . . 0 N--CA 1.438 -1.061 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 178.253 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 . . . . . 0 N--CA 1.443 -0.821 0 CA-C-O 120.936 0.398 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.8 m -100.87 118.45 36.94 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.457 0.646 . . . . 0.0 110.673 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.302 -1.495 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -177.911 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 . . . . . 0 CA--C 1.508 -0.64 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 122.681 1.229 . . . . 0.0 108.23 -175.762 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.517 0 N-CA-C 113.756 0.262 . . . . 0.0 113.756 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--N 1.308 -1.207 0 CA-C-N 117.722 0.761 . . . . 0.0 110.426 -179.413 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.454 ' NH1' ' HD2' ' A' ' 17' ' ' ARG . 9.2 ptp180 . . . . . 0 N--CA 1.436 -1.169 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.6 m -130.14 128.36 41.64 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-O 121.085 0.469 . . . . 0.0 110.121 -178.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.3 -1.587 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.2 ttm-85 . . . . . 0 N--CA 1.431 -1.407 0 CA-C-O 120.778 0.323 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 55.27 51.75 12.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.386 1.074 . . . . 0.0 110.809 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.89 -4.92 67.66 Favored Glycine 0 N--CA 1.422 -2.287 0 CA-C-N 115.214 -0.903 . . . . 0.0 114.428 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 N--CA 1.438 -1.069 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 . . . . . 0 N--CA 1.439 -0.985 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 77.9 m -95.29 128.71 42.35 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.304 -1.389 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.607 -176.207 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HD2' ' NH1' ' A' ' 4' ' ' ARG . 18.5 ttm180 . . . . . 0 CA--C 1.507 -0.692 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 . . . . . 0 CA--C 1.539 0.538 0 CA-C-O 122.9 1.333 . . . . 0.0 109.292 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.213 0 N-CA-C 114.373 0.509 . . . . 0.0 114.373 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.0 t . . . . . 0 C--N 1.314 -0.944 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.787 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 . . . . . 0 N--CA 1.439 -1.024 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 95.5 m -90.96 114.18 26.61 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 121.689 0.757 . . . . 0.0 109.465 174.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.285 -2.222 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 -177.279 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 . . . . . 0 N--CA 1.428 -1.556 0 CA-C-O 121.356 0.598 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 53.9 46.48 25.58 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.057 1.343 . . . . 0.0 111.555 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.96 -12.29 69.49 Favored Glycine 0 N--CA 1.423 -2.212 0 CA-C-N 115.065 -0.971 . . . . 0.0 114.093 177.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.0 t . . . . . 0 C--N 1.314 -0.967 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.503 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 . . . . . 0 N--CA 1.444 -0.755 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.7 m -99.17 115.96 30.27 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.201 0.525 . . . . 0.0 109.996 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 t . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 . . . . . 0 N--CA 1.435 -1.223 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 124.911 1.284 . . . . 0.0 111.11 -179.096 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.31 0 N-CA-C 113.825 0.29 . . . . 0.0 113.825 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--N 1.315 -0.92 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.777 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 . . . . . 0 N--CA 1.438 -1.028 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.3 m -103.81 123.95 48.02 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.047 0.451 . . . . 0.0 111.732 -171.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 C--O 1.249 1.049 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.819 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 . . . . . 0 N--CA 1.432 -1.373 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? 61.73 40.58 12.91 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.342 1.068 . . . . 0.0 109.292 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.9 1.43 32.34 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-N 114.965 -1.016 . . . . 0.0 113.902 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 N--CA 1.431 -1.38 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.566 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 . . . . . 0 N--CA 1.438 -1.036 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.8 m -120.28 126.68 51.18 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.307 -1.269 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.023 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 . . . . . 0 N--CA 1.427 -1.6 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 124.862 1.265 . . . . 0.0 110.796 -179.039 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.507 0 N-CA-C 114.103 0.401 . . . . 0.0 114.103 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.309 -1.168 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.817 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 . . . . . 0 N--CA 1.438 -1.066 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.7 m -104.85 119.93 40.2 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 120.98 0.419 . . . . 0.0 110.236 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.42 -1.963 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.394 179.856 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 . . . . . 0 N--CA 1.425 -1.69 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 63.23 34.81 13.08 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 122.307 1.051 . . . . 0.0 110.547 177.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.35 -9.5 77.3 Favored Glycine 0 N--CA 1.426 -2.014 0 CA-C-N 114.908 -1.042 . . . . 0.0 113.575 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 C--N 1.311 -1.072 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.608 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 ttm-85 . . . . . 0 N--CA 1.439 -0.989 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.6 m -121.31 118.85 30.55 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.034 0.445 . . . . 0.0 111.418 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.302 -1.477 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.084 177.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 . . . . . 0 N--CA 1.44 -0.967 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 122.324 1.059 . . . . 0.0 109.591 179.719 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.403 0 CA-C-O 120.37 -0.128 . . . . 0.0 113.216 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t -87.2 104.69 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.007 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -117.26 125.87 51.82 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.721 -177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 62.8 m -98.41 115.34 28.28 Favored 'General case' 0 N--CA 1.425 -1.704 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.1 t -113.57 134.44 56.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.955 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 4.0 mmp_? -112.74 98.55 7.28 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 53.13 51.07 16.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.173 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.6 -28.47 7.62 Favored Glycine 0 N--CA 1.419 -2.486 0 CA-C-N 115.182 -0.917 . . . . 0.0 114.108 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.9 t -85.3 129.5 37.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 117.712 0.756 . . . . 0.0 110.362 -176.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -104.39 110.59 22.9 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.641 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.2 m -98.04 115.44 28.23 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 t -128.82 137.52 57.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -177.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -116.34 102.15 9.29 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 . . . . . 0 CA--C 1.542 0.645 0 CA-C-O 122.571 1.177 . . . . 0.0 110.683 -179.529 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.41 -3.072 0 CA-C-O 120.123 -0.265 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.0 106.92 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-O 121.158 0.504 . . . . 0.0 110.29 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -88.96 118.33 28.61 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 64.5 m -103.47 117.5 34.6 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.321 0.581 . . . . 0.0 110.501 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.7 t -111.33 133.0 58.34 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -92.99 111.58 23.26 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 58.6 41.05 22.89 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.358 1.075 . . . . 0.0 109.545 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.18 -14.59 14.55 Favored Glycine 0 N--CA 1.435 -1.415 0 CA-C-N 114.961 -1.018 . . . . 0.0 114.106 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.5 t -80.33 122.0 34.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -99.68 109.71 22.16 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 177.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.7 m -100.26 121.28 41.22 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.072 0.463 . . . . 0.0 110.152 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.2 t -112.09 127.72 69.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -91.05 98.69 11.92 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.551 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 . . . . . 0 C--O 1.238 0.49 0 C-N-CA 124.392 1.077 . . . . 0.0 109.801 179.296 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.665 0 N-CA-C 113.93 0.332 . . . . 0.0 113.93 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.8 t -77.91 109.61 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 117.277 0.538 . . . . 0.0 110.252 -175.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.459 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 36.4 mmt180 -90.21 106.37 18.44 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.293 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 81.0 m -96.31 109.01 21.59 Favored 'General case' 0 C--N 1.29 -2.022 0 CA-C-O 121.366 0.603 . . . . 0.0 109.832 177.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t -101.46 128.78 53.48 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.265 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -86.76 98.0 10.92 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 51.22 57.68 6.36 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.647 1.179 . . . . 0.0 109.793 -177.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.13 -13.48 9.61 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 114.83 -1.077 . . . . 0.0 114.562 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -92.99 116.24 33.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 117.451 0.625 . . . . 0.0 110.102 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -119.23 105.62 11.53 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 174.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 60.5 m -94.12 120.5 34.45 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.885 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.44 120.14 62.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -101.7 105.8 16.75 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.247 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 . . . . . 0 C--O 1.243 0.747 0 CA-C-O 122.532 1.158 . . . . 0.0 110.029 -179.227 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.654 0 N-CA-C 113.649 0.219 . . . . 0.0 113.649 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t -97.74 118.5 44.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -111.03 117.21 32.69 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.082 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 62.0 m -104.33 121.91 44.35 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t -119.45 135.32 60.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -103.48 99.28 9.1 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.393 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 52.27 57.4 6.5 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.763 1.225 . . . . 0.0 110.232 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.71 -24.19 6.04 Favored Glycine 0 N--CA 1.414 -2.783 0 CA-C-N 114.927 -1.033 . . . . 0.0 114.106 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.6 t -85.51 103.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 117.682 0.741 . . . . 0.0 109.657 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 31.7 tpt180 -90.82 118.51 30.29 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.219 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.84 122.3 42.6 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.5 p -132.33 145.2 34.99 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -128.3 104.98 8.03 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.63 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 . . . . . 0 CA--C 1.542 0.661 0 CA-C-O 122.225 1.012 . . . . 0.0 109.9 178.038 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.086 0 N-CA-C 113.799 0.28 . . . . 0.0 113.799 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.64 110.33 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.346 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -115.56 123.55 48.77 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.8 m -99.85 114.89 28.4 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.326 0.584 . . . . 0.0 110.987 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t -111.27 130.4 64.83 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -126.32 110.38 13.32 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.946 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . 26.6 tpt180 58.46 43.83 18.98 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 125.076 1.35 . . . . 0.0 109.89 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.19 -13.86 36.76 Favored Glycine 0 N--CA 1.419 -2.437 0 CA-C-N 114.955 -1.02 . . . . 0.0 113.242 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.4 t -85.33 111.94 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.508 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 33.2 mmt180 -98.16 105.32 17.44 Favored 'General case' 0 C--N 1.287 -2.148 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.0 m -96.11 108.39 20.82 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 174.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.9 t -102.56 123.48 55.9 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.499 0 CA-C-N 114.618 -1.173 . . . . 0.0 108.589 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -121.08 112.33 18.57 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 71.3 ttt180 . . . . . 0 CA--C 1.551 0.987 0 CA-C-O 123.155 1.455 . . . . 0.0 110.217 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.311 0 CA-C-O 120.136 -0.258 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.4 t -82.11 104.28 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.436 ' CG ' ' HB3' ' A' ' 14' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -102.93 116.4 32.46 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.124 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 84.6 m -105.36 117.11 33.17 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.038 0.447 . . . . 0.0 110.314 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.4 t -118.15 133.78 63.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . 0.485 ' HA ' ' O ' ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -131.21 133.31 45.36 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.71 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 60.63 36.73 19.6 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-O 122.96 1.362 . . . . 0.0 109.795 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.31 4.36 63.96 Favored Glycine 0 N--CA 1.433 -1.562 0 CA-C-N 113.959 -1.473 . . . . 0.0 114.617 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 7' ' ' ABA . 56.8 t -103.04 118.13 49.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 117.249 0.525 . . . . 0.0 109.89 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.5 ttp180 -92.99 122.4 35.31 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.198 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HB3' ' CG ' ' A' ' 3' ' ' ABA . 75.6 m -106.29 119.81 40.21 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 t -114.7 130.21 69.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -178.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -111.01 97.16 6.61 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 124.548 1.139 . . . . 0.0 111.164 -177.129 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.247 0 N-CA-C 114.063 0.385 . . . . 0.0 114.063 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.2 t -90.05 108.67 19.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -127.78 123.8 36.14 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 177.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 86.1 m -105.75 118.35 36.36 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.132 0.492 . . . . 0.0 110.665 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t -103.89 123.74 57.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -103.09 103.33 13.4 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.282 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 55.85 43.98 26.69 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.63 1.172 . . . . 0.0 111.545 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.64 -21.22 47.28 Favored Glycine 0 N--CA 1.419 -2.45 0 CA-C-N 115.223 -0.899 . . . . 0.0 113.88 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.6 t -94.89 113.67 29.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 117.387 0.593 . . . . 0.0 110.179 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -102.4 126.32 49.4 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 60.6 m -106.37 126.43 52.23 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 121.118 0.485 . . . . 0.0 111.367 -176.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.4 t -102.04 128.81 54.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -127.33 110.37 12.74 Favored 'General case' 0 N--CA 1.423 -1.785 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.926 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 . . . . . 0 C--N 1.322 -0.606 0 C-N-CA 124.767 1.227 . . . . 0.0 111.08 177.308 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.415 -2.766 0 N-CA-C 114.331 0.493 . . . . 0.0 114.331 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.9 t -100.07 109.11 24.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 118.059 0.929 . . . . 0.0 110.722 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -135.18 124.44 24.6 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.8 m -105.56 121.59 44.28 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.728 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.59 137.1 58.24 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -115.63 110.88 19.81 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 57.62 45.53 19.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.443 1.116 . . . . 0.0 109.859 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.13 -4.77 53.34 Favored Glycine 0 N--CA 1.431 -1.676 0 CA-C-N 114.216 -1.357 . . . . 0.0 114.56 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -102.81 123.13 55.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 117.639 0.719 . . . . 0.0 109.496 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -98.97 118.07 34.92 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.798 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 70.7 m -100.42 119.77 38.96 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.479 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.8 t -109.0 132.89 55.8 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -121.43 106.28 11.28 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.515 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 . . . . . 0 C--N 1.315 -0.898 0 C-N-CA 125.079 1.351 . . . . 0.0 110.926 175.149 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.565 0 N-CA-C 113.256 0.062 . . . . 0.0 113.256 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t -89.68 105.01 15.64 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -108.53 113.6 26.76 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 70.3 m -96.61 117.35 30.79 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 121.564 0.697 . . . . 0.0 110.806 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.76 127.27 70.09 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -103.39 98.07 8.03 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.6 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 53.84 45.6 27.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.859 1.264 . . . . 0.0 111.695 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.46 -22.71 39.33 Favored Glycine 0 N--CA 1.418 -2.564 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.99 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.5 t -86.97 102.99 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.518 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -102.92 119.32 38.63 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.246 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.5 m -95.21 115.06 26.93 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-O 121.952 0.882 . . . . 0.0 109.795 176.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.2 116.55 48.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -112.46 100.23 8.6 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.932 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 . . . . . 0 CA--C 1.545 0.785 0 CA-C-O 122.306 1.05 . . . . 0.0 111.152 174.812 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.209 0 N-CA-C 113.532 0.173 . . . . 0.0 113.532 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.2 t -92.37 116.44 33.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-O 121.091 0.472 . . . . 0.0 110.487 -175.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -124.22 135.5 53.48 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.0 m -88.73 118.8 28.67 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-O 121.46 0.648 . . . . 0.0 110.186 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.1 t -130.69 153.11 38.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.608 -172.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -96.97 111.77 23.83 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.803 -173.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 63.65 36.61 10.74 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.45 1.119 . . . . 0.0 108.602 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 -2.35 62.78 Favored Glycine 0 N--CA 1.431 -1.657 0 CA-C-N 114.497 -1.228 . . . . 0.0 113.553 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.8 t -108.33 130.13 61.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -135.94 145.74 46.55 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 30.0 m -96.93 127.34 42.81 Favored 'General case' 0 C--N 1.287 -2.147 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.018 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.65 141.52 27.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.224 -176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -105.29 101.32 10.87 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.402 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 . . . . . 0 CA--C 1.545 0.765 0 CA-C-O 122.164 0.983 . . . . 0.0 110.352 175.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.853 0 N-CA-C 114.621 0.608 . . . . 0.0 114.621 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.4 t -96.03 115.56 35.58 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -87.78 112.0 21.97 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -102.21 116.48 32.75 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.528 0.68 . . . . 0.0 110.705 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.3 t -109.16 119.98 59.66 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -110.82 99.33 8.27 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.794 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 55.41 51.7 12.49 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-O 122.101 0.953 . . . . 0.0 111.025 176.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.91 -21.95 27.87 Favored Glycine 0 N--CA 1.42 -2.37 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.342 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.3 t -83.13 103.13 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -81.41 106.22 13.2 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.787 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.4 m -100.11 119.69 38.7 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.834 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.01 128.69 69.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -121.03 109.82 15.51 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 122.09 0.947 . . . . 0.0 109.589 -178.232 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.808 0 CA-C-O 120.123 -0.265 . . . . 0.0 113.421 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.2 t -84.47 109.12 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -122.86 134.01 54.4 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.7 m -99.24 117.76 34.43 Favored 'General case' 0 C--N 1.306 -1.326 0 CA-C-O 121.537 0.684 . . . . 0.0 110.96 -176.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.9 t -113.8 134.77 55.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.202 -176.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -99.41 107.46 19.7 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.317 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 61.36 40.04 14.61 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 122.586 1.184 . . . . 0.0 109.414 176.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.12 -17.54 41.6 Favored Glycine 0 N--CA 1.423 -2.181 0 CA-C-N 114.088 -1.415 . . . . 0.0 113.45 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.452 HG12 ' HG2' ' A' ' 13' ' ' ARG . 28.4 t -91.03 110.91 22.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -176.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.452 ' HG2' HG12 ' A' ' 11' ' ' VAL . 37.9 mmt180 -121.85 140.31 52.55 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 37.3 m -102.15 117.37 34.63 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.329 0.585 . . . . 0.0 110.097 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -101.53 138.34 26.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -177.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -127.31 101.99 6.72 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 . . . . . 0 CA--C 1.548 0.895 0 CA-C-O 123.056 1.407 . . . . 0.0 110.027 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.698 0 N-CA-C 114.49 0.556 . . . . 0.0 114.49 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.9 t -102.41 125.09 56.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -101.87 111.11 23.26 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -177.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 63.9 m -103.14 124.84 49.34 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.157 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.8 t -120.65 137.56 54.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -131.33 114.26 14.78 Favored 'General case' 0 N--CA 1.421 -1.913 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 56.23 48.67 16.83 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 124.892 1.277 . . . . 0.0 110.928 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.67 0.21 79.36 Favored Glycine 0 N--CA 1.422 -2.259 0 CA-C-N 115.377 -0.829 . . . . 0.0 114.073 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -103.54 106.9 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 4.4 ptp180 -103.97 130.41 51.6 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.303 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.3 m -108.62 121.79 45.75 Favored 'General case' 0 C--N 1.293 -1.875 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.916 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.54 141.61 43.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -118.64 100.85 7.69 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -177.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 . . . . . 0 CA--C 1.545 0.776 0 CA-C-O 122.387 1.089 . . . . 0.0 110.725 177.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.276 0 CA-C-O 120.249 -0.195 . . . . 0.0 113.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.7 t -86.36 108.76 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -112.88 118.53 35.15 Favored 'General case' 0 C--N 1.296 -1.757 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.956 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 72.0 m -99.27 124.99 44.8 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.936 177.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 p -137.44 133.98 46.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.836 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.736 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -94.97 107.87 19.91 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.322 -175.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 55.38 48.22 19.56 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.238 1.015 . . . . 0.0 109.955 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.04 -20.68 14.65 Favored Glycine 0 N--CA 1.424 -2.124 0 CA-C-N 114.911 -1.04 . . . . 0.0 114.068 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.15 120.06 42.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 117.543 0.671 . . . . 0.0 109.84 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -108.24 117.14 33.38 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.484 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.6 m -107.35 110.16 22.09 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 175.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.1 t -102.14 126.88 56.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -135.04 122.21 21.48 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.001 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 . . . . . 0 C--N 1.322 -0.614 0 CA-C-O 122.7 1.238 . . . . 0.0 109.392 -179.186 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.507 0 N-CA-C 113.37 0.108 . . . . 0.0 113.37 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.1 t -89.24 103.29 13.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-O 121.317 0.58 . . . . 0.0 109.724 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.406 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -129.28 137.57 51.13 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.2 m -115.97 122.78 46.28 Favored 'General case' 0 N--CA 1.426 -1.67 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.3 t -111.07 125.91 68.43 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -129.05 121.93 28.91 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -175.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 62.77 35.91 13.54 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 122.402 1.096 . . . . 0.0 109.427 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.42 6.67 84.38 Favored Glycine 0 N--CA 1.428 -1.842 0 CA-C-N 114.052 -1.431 . . . . 0.0 113.757 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t -107.59 115.83 49.71 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -128.33 136.72 51.35 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -121.57 135.07 55.02 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 23.3 t -121.58 139.19 49.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -104.82 97.98 7.78 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 121.088 0.471 . . . . 0.0 111.224 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 . . . . . 0 CA--C 1.542 0.642 0 C-N-CA 125.223 1.409 . . . . 0.0 111.65 175.594 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.278 0 N-CA-C 114.143 0.417 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.2 t -90.61 113.15 26.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 117.713 0.756 . . . . 0.0 109.39 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -106.65 130.17 54.43 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 65.8 m -101.24 124.41 46.89 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.146 0.498 . . . . 0.0 111.275 -178.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 37.5 t -102.26 127.1 56.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -134.69 121.02 20.22 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.775 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 55.28 48.4 19.37 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 124.932 1.293 . . . . 0.0 111.524 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.69 8.23 81.23 Favored Glycine 0 N--CA 1.419 -2.437 0 CA-C-N 114.837 -1.074 . . . . 0.0 113.596 177.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.1 t -114.94 118.09 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -126.1 125.17 42.12 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.566 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.8 m -100.87 118.45 36.94 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.457 0.646 . . . . 0.0 110.673 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 t -112.84 135.45 52.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -89.31 110.14 20.95 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 122.681 1.229 . . . . 0.0 108.23 -175.762 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.517 0 N-CA-C 113.756 0.262 . . . . 0.0 113.756 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.1 t -104.61 118.39 51.82 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 CA-C-N 117.722 0.761 . . . . 0.0 110.426 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.454 ' NH1' ' HD2' ' A' ' 17' ' ' ARG . 9.2 ptp180 -116.75 164.87 13.99 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.6 m -130.14 128.36 41.64 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-O 121.085 0.469 . . . . 0.0 110.121 -178.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.3 t -104.1 125.42 58.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.587 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.2 ttm-85 -103.36 101.22 11.13 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.214 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 55.27 51.75 12.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.386 1.074 . . . . 0.0 110.809 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.89 -4.92 67.66 Favored Glycine 0 N--CA 1.422 -2.287 0 CA-C-N 115.214 -0.903 . . . . 0.0 114.428 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -103.05 105.39 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -100.68 119.91 39.29 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.796 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 77.9 m -95.29 128.71 42.35 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.59 145.42 26.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.607 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' HD2' ' NH1' ' A' ' 4' ' ' ARG . 18.5 ttm180 -112.78 118.43 34.95 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 . . . . . 0 CA--C 1.539 0.538 0 CA-C-O 122.9 1.333 . . . . 0.0 109.292 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.213 0 N-CA-C 114.373 0.509 . . . . 0.0 114.373 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.0 t -92.43 113.14 27.06 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.505 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -104.74 115.58 30.56 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 95.5 m -90.96 114.18 26.61 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-O 121.689 0.757 . . . . 0.0 109.465 174.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 t -101.59 111.41 31.21 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.222 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -133.64 108.86 8.81 Favored 'General case' 0 C--N 1.294 -1.804 0 CA-C-O 121.356 0.598 . . . . 0.0 112.034 -177.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 53.9 46.48 25.58 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.057 1.343 . . . . 0.0 111.555 174.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.96 -12.29 69.49 Favored Glycine 0 N--CA 1.423 -2.212 0 CA-C-N 115.065 -0.971 . . . . 0.0 114.093 177.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.0 t -102.78 119.9 51.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -104.65 109.55 21.51 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.7 m -99.17 115.96 30.27 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.201 0.525 . . . . 0.0 109.996 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 19.7 t -102.21 128.85 54.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.3 ttp85 -116.91 110.4 18.27 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 124.911 1.284 . . . . 0.0 111.11 -179.096 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.31 0 N-CA-C 113.825 0.29 . . . . 0.0 113.825 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.9 t -106.51 115.7 48.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.418 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -108.57 125.66 52.08 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 175.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.3 m -103.81 123.95 48.02 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.047 0.451 . . . . 0.0 111.732 -171.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.0 t -131.65 141.06 46.69 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -105.46 119.32 38.8 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 114.291 -1.322 . . . . 0.0 108.642 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? 61.73 40.58 12.91 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.342 1.068 . . . . 0.0 109.292 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.9 1.43 32.34 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-N 114.965 -1.016 . . . . 0.0 113.902 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.0 t -104.43 112.8 39.46 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.38 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -114.01 156.07 24.74 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.556 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.8 m -120.28 126.68 51.18 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 5.6 p -102.35 130.82 51.63 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.269 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -112.09 105.12 13.41 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 124.862 1.265 . . . . 0.0 110.796 -179.039 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.507 0 N-CA-C 114.103 0.401 . . . . 0.0 114.103 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.6 t -93.54 115.66 32.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -95.39 114.26 26.01 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.7 m -104.85 119.93 40.2 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 120.98 0.419 . . . . 0.0 110.236 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 p -120.77 125.68 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.963 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.394 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ABA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 12' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -114.76 107.31 15.28 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.573 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.7 tpt180 63.23 34.81 13.08 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 122.307 1.051 . . . . 0.0 110.547 177.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.35 -9.5 77.3 Favored Glycine 0 N--CA 1.426 -2.014 0 CA-C-N 114.908 -1.042 . . . . 0.0 113.575 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.79 106.98 18.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ABA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 7' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.8 ttm-85 -124.59 137.63 54.38 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.6 m -121.31 118.85 30.55 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.034 0.445 . . . . 0.0 111.418 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.9 p -105.65 128.6 59.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.084 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -134.79 120.23 19.14 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 122.324 1.059 . . . . 0.0 109.591 179.719 . . . . . . . . 0 0 . 1 stop_ save_